1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide

C18H23FN4O2 — CID 56886410

IUPAC1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C18H23FN4O2/c1-11-17(18(25)21-9-13-7-8-20-10-16(13)24)12(2)23(22-11)15-5-3-14(19)4-6-15/h3-6,13,16,20,24H,7-10H2,1-2H3,(H,21,25)/t13-,16+/m0/s1
InChIKeyNZHUJKGXAYIORQ-XJKSGUPXSA-N
MW346.41 g/mol
LogP1.33
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 56886410) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID56886410
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C18H23FN4O2/c1-11-17(18(25)21-9-13-7-8-20-10-16(13)24)12(2)23(22-11)15-5-3-14(19)4-6-15/h3-6,13,16,20,24H,7-10H2,1-2H3,(H,21,25)/t13-,16+/m0/s1
InChIKeyNZHUJKGXAYIORQ-XJKSGUPXSA-N
XLogP1.33
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

1H-Pyrazole-4-carboxamide, 1,3-diphenyl-N-(2-hydroxyethyl)-5-methyl-
CID 2053691
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 2121401
1-(2,4-difluorophenyl)-N-(3-methoxypropyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 16023243
3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 34590890
3,5-dimethyl-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2460712
1-(4-fluorophenyl)-N,3,5-tri(propan-2-yl)pyrazole-4-carboxamide
CID 8077396
4-[1-(4-Fluorophenyl)-3,5-bis(propan-2-YL)-1H-pyrazole-4-carbonyl]morpholine
CID 8077995
5-ethyl-1-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 8079141
N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 8933922
5-Ethyl-3-methyl-N-(2-methylpropyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 8077951
5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 24712299
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]benzamide
CID 70753942

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide (CID 56886410) is 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H]1CCNC[C@H]1O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is NZHUJKGXAYIORQ-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-11-17(18(25)21-9-13-7-8-20-10-16(13)24)12(2)23(22-11)15-5-3-14(19)4-6-15/h3-6,13,16,20,24H,7-10H2,1-2H3,(H,21,25)/t13-,16+/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 56886410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).