N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide

C24H27ClN4O — CID 99740951

IUPACN-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1
InChIInChI=1S/C24H27ClN4O/c25-20-13-11-19(12-14-20)22-16-23(28-27-22)29-15-5-9-21(17-29)26-24(30)10-4-8-18-6-2-1-3-7-18/h1-3,6-7,11-14,16,21H,4-5,8-10,15,17H2,(H,26,30)(H,27,28)/t21-/m1/s1
InChIKeyWXSDSLPOAHHERH-OAQYLSRUSA-N
MW422.96 g/mol
LogP4.84
Rot. Bonds7

About N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide

N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide (PubChem CID 99740951) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
PubChem CID99740951
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC NameN-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1
InChIInChI=1S/C24H27ClN4O/c25-20-13-11-19(12-14-20)22-16-23(28-27-22)29-15-5-9-21(17-29)26-24(30)10-4-8-18-6-2-1-3-7-18/h1-3,6-7,11-14,16,21H,4-5,8-10,15,17H2,(H,26,30)(H,27,28)/t21-/m1/s1
InChIKeyWXSDSLPOAHHERH-OAQYLSRUSA-N
XLogP4.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99756654
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide
CID 99741278
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 99740879
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
CID 99740869
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740846
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756157
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
5-bromo-N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]furan-2-carboxamide
CID 91887808
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
CID 91904801

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide (CID 99740951) is N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1.
What is the InChIKey of N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide?
The InChIKey is WXSDSLPOAHHERH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27ClN4O/c25-20-13-11-19(12-14-20)22-16-23(28-27-22)29-15-5-9-21(17-29)26-24(30)10-4-8-18-6-2-1-3-7-18/h1-3,6-7,11-14,16,21H,4-5,8-10,15,17H2,(H,26,30)(H,27,28)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide?
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide has a molecular weight of 422.96 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 99740951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).