N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

C18H16ClN3O2 — CID 7992538

IUPACN-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-8-9-15(14(19)10-12)20-18(23)17-16(24-2)11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,23)
InChIKeyANVULAAXCSIIIR-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.10
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 7992538) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID7992538
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-8-9-15(14(19)10-12)20-18(23)17-16(24-2)11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,23)
InChIKeyANVULAAXCSIIIR-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7581178
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284348
N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284367
N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284377
N-(2,6-difluorobenzyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 42109692
4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 42109724
N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 45283979
N-[1-(3,4-difluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 45845021

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 7992538) is N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is ANVULAAXCSIIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-8-9-15(14(19)10-12)20-18(23)17-16(24-2)11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 7992538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).