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

C19H18ClN3O2 — CID 99714138

IUPACN-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc(C)n(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-13-11-17(21-23(13)14-7-5-4-6-8-14)19(24)22(2)15-9-10-18(25-3)16(20)12-15/h4-12H,1-3H3
InChIKeyLYYUKLTUIKSCNS-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.12
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide (PubChem CID 99714138) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
PubChem CID99714138
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc(C)n(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-13-11-17(21-23(13)14-7-5-4-6-8-14)19(24)22(2)15-9-10-18(25-3)16(20)12-15/h4-12H,1-3H3
InChIKeyLYYUKLTUIKSCNS-UHFFFAOYSA-N
XLogP4.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
CID 86801277
N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 71920533
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55761446
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
2-[[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120520399

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide (CID 99714138) is N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide is COc1ccc(N(C)C(=O)c2cc(C)n(-c3ccccc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is LYYUKLTUIKSCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-11-17(21-23(13)14-7-5-4-6-8-14)19(24)22(2)15-9-10-18(25-3)16(20)12-15/h4-12H,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 99714138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).