5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide

C17H20FN3O2 — CID 169082724

IUPAC5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H20FN3O2/c18-12-3-1-11(2-4-12)9-14-10-16(21-20-14)17(23)19-13-5-7-15(22)8-6-13/h1-4,10,13,15,22H,5-9H2,(H,19,23)(H,20,21)
InChIKeyPBSAFSLFKRRLNK-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.17
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide

5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide (PubChem CID 169082724) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide
PubChem CID169082724
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H20FN3O2/c18-12-3-1-11(2-4-12)9-14-10-16(21-20-14)17(23)19-13-5-7-15(22)8-6-13/h1-4,10,13,15,22H,5-9H2,(H,19,23)(H,20,21)
InChIKeyPBSAFSLFKRRLNK-UHFFFAOYSA-N
XLogP2.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]ethanone
CID 115093128
5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 154693101
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
5-[(4-fluorophenyl)methyl]-N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-pyrazole-3-carboxamide
CID 118557045
N-[(3S)-7-fluoro-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-5-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 139444604
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 69138084
N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965
N-[(3S)-7-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 118557312
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 56910590
5-[(3-fluorophenyl)methyl]-N-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-pyrazole-3-carboxamide
CID 118557265

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide (CID 169082724) is 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide is O=C(NC1CCC(O)CC1)c1cc(Cc2ccc(F)cc2)[nH]n1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PBSAFSLFKRRLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-12-3-1-11(2-4-12)9-14-10-16(21-20-14)17(23)19-13-5-7-15(22)8-6-13/h1-4,10,13,15,22H,5-9H2,(H,19,23)(H,20,21).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 169082724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).