5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide

C18H25N3O3 — CID 99777998

IUPAC5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C18H25N3O3/c1-12(10-15(22)16-8-5-9-24-16)20-18(23)14-11-19-21-17(14)13-6-3-2-4-7-13/h5,8-9,11-13,15,22H,2-4,6-7,10H2,1H3,(H,19,21)(H,20,23)/t12-,15+/m0/s1
InChIKeyZGGVSTMJDGGGDZ-SWLSCSKDSA-N
MW331.42 g/mol
LogP3.29
Rot. Bonds6

About 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 99777998) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID99777998
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C18H25N3O3/c1-12(10-15(22)16-8-5-9-24-16)20-18(23)14-11-19-21-17(14)13-6-3-2-4-7-13/h5,8-9,11-13,15,22H,2-4,6-7,10H2,1H3,(H,19,21)(H,20,23)/t12-,15+/m0/s1
InChIKeyZGGVSTMJDGGGDZ-SWLSCSKDSA-N
XLogP3.29
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 131914240
1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
CID 97247623
1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086737
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610
N-[4-[[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]amino]cyclohexyl]acetamide
CID 99634339
5-cyclohexyl-N-[(2R)-2-hydroxy-3-phenoxypropyl]-1H-pyrazole-4-carboxamide
CID 97155422
N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136802083
(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99589419
5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 70753002
N-[(2R)-1-(4-methylphenyl)sulfanylpropan-2-yl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 125138417
4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 97247644
5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide
CID 86798225

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide (CID 99777998) is 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide is C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZGGVSTMJDGGGDZ-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(10-15(22)16-8-5-9-24-16)20-18(23)14-11-19-21-17(14)13-6-3-2-4-7-13/h5,8-9,11-13,15,22H,2-4,6-7,10H2,1H3,(H,19,21)(H,20,23)/t12-,15+/m0/s1.
What are the key properties of 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 99777998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).