N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide

C12H16N4OS — CID 86808778

IUPACN-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCc1[nH]ncc1CNCCNC(=O)c1cccs1
InChIInChI=1S/C12H16N4OS/c1-9-10(8-15-16-9)7-13-4-5-14-12(17)11-3-2-6-18-11/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyXUQCOTTVFSLMTG-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.30
Rot. Bonds6

About N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide

N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 86808778) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide
PubChem CID86808778
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCc1[nH]ncc1CNCCNC(=O)c1cccs1
InChIInChI=1S/C12H16N4OS/c1-9-10(8-15-16-9)7-13-4-5-14-12(17)11-3-2-6-18-11/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyXUQCOTTVFSLMTG-UHFFFAOYSA-N
XLogP1.30
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
(3-methyl-2-thienyl)[1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanone
CID 16188542
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
CID 3216056
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095
1-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-4-(2-thienylcarbonyl)piperazine
CID 24793141
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95265878
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3153689
N-((1H-Pyrazol-3-yl)methyl)-5-fluorothiophene-2-carboxamide
CID 119056288
2-[(2,2-dimethylpropanoyl)amino]-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 46999137
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 60767575
4-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}thiophene-2-carboxamide
CID 71808006
1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84594963

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide (CID 86808778) is N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide is Cc1[nH]ncc1CNCCNC(=O)c1cccs1.
What is the InChIKey of N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is XUQCOTTVFSLMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-10(8-15-16-9)7-13-4-5-14-12(17)11-3-2-6-18-11/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide?
N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 86808778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).