N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide

C19H19N3O3 — CID 42685754

IUPACN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H19N3O3/c1-12-17(20-19(23)13-7-5-4-6-8-13)18(22-21-12)15-11-14(24-2)9-10-16(15)25-3/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyQRVMTYXEAZBTQI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.65
Rot. Bonds5

About N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide

N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide (PubChem CID 42685754) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
PubChem CID42685754
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H19N3O3/c1-12-17(20-19(23)13-7-5-4-6-8-13)18(22-21-12)15-11-14(24-2)9-10-16(15)25-3/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyQRVMTYXEAZBTQI-UHFFFAOYSA-N
XLogP3.65
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 42686773
4-chloro-N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42685781
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-fluorobenzamide
CID 42685787
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
CID 22434337
4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42874186
4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82485414
3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 142699253
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826932

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide (CID 42685754) is N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide is COc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is QRVMTYXEAZBTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-17(20-19(23)13-7-5-4-6-8-13)18(22-21-12)15-11-14(24-2)9-10-16(15)25-3/h4-11H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide?
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42685754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).