N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide

C21H16ClN3O — CID 10872140

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C21H16ClN3O/c22-17-10-8-15(9-11-17)19-13-20(25-24-19)23-21(26)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13H,12H2,(H2,23,24,25,26)
InChIKeyFBTHKQXPVQZGIG-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.06
Rot. Bonds4

About N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide (PubChem CID 10872140) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
PubChem CID10872140
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C21H16ClN3O/c22-17-10-8-15(9-11-17)19-13-20(25-24-19)23-21(26)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13H,12H2,(H2,23,24,25,26)
InChIKeyFBTHKQXPVQZGIG-UHFFFAOYSA-N
XLogP5.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide (CID 10872140) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is FBTHKQXPVQZGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-17-10-8-15(9-11-17)19-13-20(25-24-19)23-21(26)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13H,12H2,(H2,23,24,25,26).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 361.83 g/mol, XLogP of 5.06, 4 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]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 10872140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).