3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide

C23H24ClN3O2 — CID 96509284

IUPAC3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC[C@@H]1CCC[C@@H](O)C1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O2/c24-18-11-9-17(10-12-18)22-21(15-27(26-22)19-6-2-1-3-7-19)23(29)25-14-16-5-4-8-20(28)13-16/h1-3,6-7,9-12,15-16,20,28H,4-5,8,13-14H2,(H,25,29)/t16-,20-/m1/s1
InChIKeyQMGXHYFXRXPUHF-OXQOHEQNSA-N
MW409.92 g/mol
LogP4.47
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide

3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 96509284) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID96509284
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC[C@@H]1CCC[C@@H](O)C1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O2/c24-18-11-9-17(10-12-18)22-21(15-27(26-22)19-6-2-1-3-7-19)23(29)25-14-16-5-4-8-20(28)13-16/h1-3,6-7,9-12,15-16,20,28H,4-5,8,13-14H2,(H,25,29)/t16-,20-/m1/s1
InChIKeyQMGXHYFXRXPUHF-OXQOHEQNSA-N
XLogP4.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775451
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide
CID 111459881
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 111460488
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
CID 119459838
3-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42988922
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(3-hydroxycyclohexyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111460494
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 96509284) is 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide is O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is QMGXHYFXRXPUHF-OXQOHEQNSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-18-11-9-17(10-12-18)22-21(15-27(26-22)19-6-2-1-3-7-19)23(29)25-14-16-5-4-8-20(28)13-16/h1-3,6-7,9-12,15-16,20,28H,4-5,8,13-14H2,(H,25,29)/t16-,20-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide?
3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 96509284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).