N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide

C65H92N27O11S3+ — CID 157476836

IUPACN-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide
SMILESCN(C=O)Cc1ccsc1.C[n+]1[nH]ccc1CCNC=O.Cn1cc(CNC=O)cn1.Cn1cc(NC=O)cn1.Cn1ccc(CCNC=O)n1.Cn1ccc(NC=O)n1.Cn1nccc1NC=O.O=CNCCc1cnc[nH]1.O=CNCc1cccs1.O=CNCc1ccn[nH]1.O=CNCc1ccsc1
InChIInChI=1S/2C7H11N3O.C7H9NOS.2C6H9N3O.2C6H7NOS.4C5H7N3O/c1-10-5-3-7(9-10)2-4-8-6-11;1-10-7(3-5-9-10)2-4-8-6-11;1-8(6-9)4-7-2-3-10-5-7;1-9-4-6(3-8-9)2-7-5-10;10-5-7-2-1-6-3-8-4-9-6;8-5-7-3-6-1-2-9-4-6;8-5-7-4-6-2-1-3-9-6;1-8-3-5(2-7-8)6-4-9;1-8-3-2-5(7-8)6-4-9;1-8-5(6-4-9)2-3-7-8;9-4-6-3-5-1-2-7-8-5/h2*3,5-6H,2,4H2,1H3,(H,8,11);2-3,5-6H,4H2,1H3;3-5H,2H2,1H3,(H,7,10);3-5H,1-2H2,(H,7,10)(H,8,9);1-2,4-5H,3H2,(H,7,8);1-3,5H,4H2,(H,7,8);2-4H,1H3,(H,6,9);2-4H,1H3,(H,6,7,9);2-4H,1H3,(H,6,9);1-2,4H,3H2,(H,6,9)(H,7,8)/p+1
InChIKeyFCYAPGWJLKMKIS-UHFFFAOYSA-O
MW1523.83 g/mol
LogP1.15
Rot. Bonds33

About N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide

N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide (PubChem CID 157476836) has the molecular formula C65H92N27O11S3+ and a molecular weight of 1523.83 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide
PubChem CID157476836
Molecular FormulaC65H92N27O11S3+
Molecular Weight1523.83 g/mol
Exact Mass1522.66
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide
SMILESCN(C=O)Cc1ccsc1.C[n+]1[nH]ccc1CCNC=O.Cn1cc(CNC=O)cn1.Cn1cc(NC=O)cn1.Cn1ccc(CCNC=O)n1.Cn1ccc(NC=O)n1.Cn1nccc1NC=O.O=CNCCc1cnc[nH]1.O=CNCc1cccs1.O=CNCc1ccn[nH]1.O=CNCc1ccsc1
InChIInChI=1S/2C7H11N3O.C7H9NOS.2C6H9N3O.2C6H7NOS.4C5H7N3O/c1-10-5-3-7(9-10)2-4-8-6-11;1-10-7(3-5-9-10)2-4-8-6-11;1-8(6-9)4-7-2-3-10-5-7;1-9-4-6(3-8-9)2-7-5-10;10-5-7-2-1-6-3-8-4-9-6;8-5-7-3-6-1-2-9-4-6;8-5-7-4-6-2-1-3-9-6;1-8-3-5(2-7-8)6-4-9;1-8-3-2-5(7-8)6-4-9;1-8-5(6-4-9)2-3-7-8;9-4-6-3-5-1-2-7-8-5/h2*3,5-6H,2,4H2,1H3,(H,8,11);2-3,5-6H,4H2,1H3;3-5H,2H2,1H3,(H,7,10);3-5H,1-2H2,(H,7,10)(H,8,9);1-2,4-5H,3H2,(H,7,8);1-3,5H,4H2,(H,7,8);2-4H,1H3,(H,6,9);2-4H,1H3,(H,6,7,9);2-4H,1H3,(H,6,9);1-2,4H,3H2,(H,6,9)(H,7,8)/p+1
InChIKeyFCYAPGWJLKMKIS-UHFFFAOYSA-O
XLogP1.15
TPSA477.44 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001523.83
LogP ≤ 51.15
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide (CID 157476836) is N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide is CN(C=O)Cc1ccsc1.C[n+]1[nH]ccc1CCNC=O.Cn1cc(CNC=O)cn1.Cn1cc(NC=O)cn1.Cn1ccc(CCNC=O)n1.Cn1ccc(NC=O)n1.Cn1nccc1NC=O.O=CNCCc1cnc[nH]1.O=CNCc1cccs1.O=CNCc1ccn[nH]1.O=CNCc1ccsc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide?
The InChIKey is FCYAPGWJLKMKIS-UHFFFAOYSA-O. The full InChI is InChI=1S/2C7H11N3O.C7H9NOS.2C6H9N3O.2C6H7NOS.4C5H7N3O/c1-10-5-3-7(9-10)2-4-8-6-11;1-10-7(3-5-9-10)2-4-8-6-11;1-8(6-9)4-7-2-3-10-5-7;1-9-4-6(3-8-9)2-7-5-10;10-5-7-2-1-6-3-8-4-9-6;8-5-7-3-6-1-2-9-4-6;8-5-7-4-6-2-1-3-9-6;1-8-3-5(2-7-8)6-4-9;1-8-3-2-5(7-8)6-4-9;1-8-5(6-4-9)2-3-7-8;9-4-6-3-5-1-2-7-8-5/h2*3,5-6H,2,4H2,1H3,(H,8,11);2-3,5-6H,4H2,1H3;3-5H,2H2,1H3,(H,7,10);3-5H,1-2H2,(H,7,10)(H,8,9);1-2,4-5H,3H2,(H,7,8);1-3,5H,4H2,(H,7,8);2-4H,1H3,(H,6,9);2-4H,1H3,(H,6,7,9);2-4H,1H3,(H,6,9);1-2,4H,3H2,(H,6,9)(H,7,8)/p+1.
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide?
N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide has a molecular weight of 1523.83 g/mol, XLogP of 1.15, 33 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide is sourced from PubChem (CID 157476836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).