N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide

C21H16ClN3O — CID 26725865

IUPACN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H16ClN3O/c22-19-9-5-15(6-10-19)14-25-20(11-12-23-25)24-21(26)18-8-7-16-3-1-2-4-17(16)13-18/h1-13H,14H2,(H,24,26)
InChIKeyGGOSYSUGMNTUJQ-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.99
Rot. Bonds4

About N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide (PubChem CID 26725865) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
PubChem CID26725865
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC NameN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H16ClN3O/c22-19-9-5-15(6-10-19)14-25-20(11-12-23-25)24-21(26)18-8-7-16-3-1-2-4-17(16)13-18/h1-13H,14H2,(H,24,26)
InChIKeyGGOSYSUGMNTUJQ-UHFFFAOYSA-N
XLogP4.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46616697
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55667829
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
CID 55452348
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide
CID 78833536
N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
CID 30183164
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-ethoxybenzamide
CID 26725871
N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide
CID 51233551
N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
CID 9118345

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide (CID 26725865) is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide?
The InChIKey is GGOSYSUGMNTUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-19-9-5-15(6-10-19)14-25-20(11-12-23-25)24-21(26)18-8-7-16-3-1-2-4-17(16)13-18/h1-13H,14H2,(H,24,26).
What are the key properties of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide?
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 26725865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).