2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide

C19H19N3O3 — CID 19410106

IUPAC2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccccc3OC)cn2)c1
InChIInChI=1S/C19H19N3O3/c1-24-16-7-5-6-14(10-16)12-22-13-15(11-20-22)21-19(23)17-8-3-4-9-18(17)25-2/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyDVJYXOKMTPOTMC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.20
Rot. Bonds6

About 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide

2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19410106) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19410106
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccccc3OC)cn2)c1
InChIInChI=1S/C19H19N3O3/c1-24-16-7-5-6-14(10-16)12-22-13-15(11-20-22)21-19(23)17-8-3-4-9-18(17)25-2/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyDVJYXOKMTPOTMC-UHFFFAOYSA-N
XLogP3.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410114
4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496247
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410119
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide (CID 19410106) is 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide is COc1cccc(Cn2cc(NC(=O)c3ccccc3OC)cn2)c1.
What is the InChIKey of 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is DVJYXOKMTPOTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-7-5-6-14(10-16)12-22-13-15(11-20-22)21-19(23)17-8-3-4-9-18(17)25-2/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19410106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).