1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide

C17H23N3O3 — CID 97247623

IUPAC1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
SMILESC[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccn(C2CCCC2)n1
InChIInChI=1S/C17H23N3O3/c1-12(11-15(21)16-7-4-10-23-16)18-17(22)14-8-9-20(19-14)13-5-2-3-6-13/h4,7-10,12-13,15,21H,2-3,5-6,11H2,1H3,(H,18,22)/t12-,15+/m1/s1
InChIKeyILDWDMDIZRLLML-DOMZBBRYSA-N
MW317.39 g/mol
LogP2.83
Rot. Bonds6

About 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide

1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide (PubChem CID 97247623) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
PubChem CID97247623
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
SMILESC[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccn(C2CCCC2)n1
InChIInChI=1S/C17H23N3O3/c1-12(11-15(21)16-7-4-10-23-16)18-17(22)14-8-9-20(19-14)13-5-2-3-6-13/h4,7-10,12-13,15,21H,2-3,5-6,11H2,1H3,(H,18,22)/t12-,15+/m1/s1
InChIKeyILDWDMDIZRLLML-DOMZBBRYSA-N
XLogP2.83
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086737
(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 99851518
5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide
CID 99777998
3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782572
4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 97247644
[2-(1-cyclohexylpyrazol-3-yl)-1-(furan-2-yl)ethyl]hydrazine
CID 105213708
1-cyclopentyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 71968725
N-[4-[[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]amino]cyclohexyl]acetamide
CID 99634339
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
CID 97225262
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 71919597
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide (CID 97247623) is 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide is C[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccn(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide?
The InChIKey is ILDWDMDIZRLLML-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(11-15(21)16-7-4-10-23-16)18-17(22)14-8-9-20(19-14)13-5-2-3-6-13/h4,7-10,12-13,15,21H,2-3,5-6,11H2,1H3,(H,18,22)/t12-,15+/m1/s1.
What are the key properties of 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide?
1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 97247623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).