N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C19H18ClN3O3 — CID 26069017

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-11-4-6-12(7-5-11)14-9-16(23-22-14)19(24)21-15-10-17(25-2)13(20)8-18(15)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyPIQIDBHVWXSVHW-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.31
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 26069017) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID26069017
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-11-4-6-12(7-5-11)14-9-16(23-22-14)19(24)21-15-10-17(25-2)13(20)8-18(15)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyPIQIDBHVWXSVHW-UHFFFAOYSA-N
XLogP4.31
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856817
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920353
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356
3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513234
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64526078
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 26069017) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PIQIDBHVWXSVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-11-4-6-12(7-5-11)14-9-16(23-22-14)19(24)21-15-10-17(25-2)13(20)8-18(15)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 26069017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).