N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C18H16ClN3O2 — CID 108791811

IUPACN-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-15(11-20-22(12)14-6-4-3-5-7-14)18(23)21-13-8-9-17(24-2)16(19)10-13/h3-11H,1-2H3,(H,21,23)
InChIKeyOUZCRFXFSJEBHR-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.10
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108791811) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID108791811
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-15(11-20-22(12)14-6-4-3-5-7-14)18(23)21-13-8-9-17(24-2)16(19)10-13/h3-11H,1-2H3,(H,21,23)
InChIKeyOUZCRFXFSJEBHR-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

N-(4-chloro-3-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804176
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7934858
N-(3-chloro-4-methoxyphenyl)-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide
CID 20893997
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 25299287
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34405095
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43980540

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 108791811) is N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is OUZCRFXFSJEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-15(11-20-22(12)14-6-4-3-5-7-14)18(23)21-13-8-9-17(24-2)16(19)10-13/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-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-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108791811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).