N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide

C12H16N4OS — CID 86785659

IUPACN-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NCCNC(=O)c1ccn[nH]1)c1cccs1
InChIInChI=1S/C12H16N4OS/c1-9(11-3-2-8-18-11)13-6-7-14-12(17)10-4-5-15-16-10/h2-5,8-9,13H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyKEDHLAOOGZCRRY-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.55
Rot. Bonds6

About N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 86785659) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID86785659
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NCCNC(=O)c1ccn[nH]1)c1cccs1
InChIInChI=1S/C12H16N4OS/c1-9(11-3-2-8-18-11)13-6-7-14-12(17)10-4-5-15-16-10/h2-5,8-9,13H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyKEDHLAOOGZCRRY-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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

1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5402503
3-methyl-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6866198
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
3-methyl-N'-[(E)-(5-methylthiophen-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 6890771
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
CID 3216056
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
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45887140
N-[(1-phenylsulfanylcyclopropyl)methyl]-1H-pyrazole-5-carboxamide
CID 56785247
(4S)-N-ethyl-4-{[(3-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-1-(3-thienylmethyl)-L-prolinamide
CID 72882666

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide (CID 86785659) is N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide is CC(NCCNC(=O)c1ccn[nH]1)c1cccs1.
What is the InChIKey of N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is KEDHLAOOGZCRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9(11-3-2-8-18-11)13-6-7-14-12(17)10-4-5-15-16-10/h2-5,8-9,13H,6-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 86785659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).