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

C19H18ClN3O — CID 11727519

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C19H18ClN3O/c20-16-11-9-15(10-12-16)17-13-18(23-22-17)21-19(24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H2,21,22,23,24)
InChIKeyJYRLSRCKUJIZJN-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.69
Rot. Bonds6

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

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 11727519) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide
PubChem CID11727519
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C19H18ClN3O/c20-16-11-9-15(10-12-16)17-13-18(23-22-17)21-19(24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H2,21,22,23,24)
InChIKeyJYRLSRCKUJIZJN-UHFFFAOYSA-N
XLogP4.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 339736
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CID 5330979
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
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CID 5330986
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methylphenyl)phenyl]acetamide
CID 5331005
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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide (CID 11727519) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is JYRLSRCKUJIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-16-11-9-15(10-12-16)17-13-18(23-22-17)21-19(24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H2,21,22,23,24).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 339.83 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 11727519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).