5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide

C14H17N3O2S — CID 139007445

IUPAC5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC(CCO)c1cccs1)c1cn[nH]c1C1CC1
InChIInChI=1S/C14H17N3O2S/c18-6-5-11(12-2-1-7-20-12)16-14(19)10-8-15-17-13(10)9-3-4-9/h1-2,7-9,11,18H,3-6H2,(H,15,17)(H,16,19)
InChIKeyZNODDDXNSWQAKM-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.20
Rot. Bonds6

About 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide

5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 139007445) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID139007445
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC(CCO)c1cccs1)c1cn[nH]c1C1CC1
InChIInChI=1S/C14H17N3O2S/c18-6-5-11(12-2-1-7-20-12)16-14(19)10-8-15-17-13(10)9-3-4-9/h1-2,7-9,11,18H,3-6H2,(H,15,17)(H,16,19)
InChIKeyZNODDDXNSWQAKM-UHFFFAOYSA-N
XLogP2.20
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 129472917
3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75393355
(3R)-3-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 97233630
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2-methoxypyridine-3-carboxamide
CID 97235405
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 171539997
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
CID 83872450
N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 167819842
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
CID 105069176
1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
CID 155950829
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 25330536

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide (CID 139007445) is 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide is O=C(NC(CCO)c1cccs1)c1cn[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZNODDDXNSWQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-6-5-11(12-2-1-7-20-12)16-14(19)10-8-15-17-13(10)9-3-4-9/h1-2,7-9,11,18H,3-6H2,(H,15,17)(H,16,19).
What are the key properties of 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide?
5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 139007445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).