3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide

C20H18N4O3 — CID 18096334

IUPAC3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCOc1cccc(Cn2nccc2NC(=O)c2cccc(C#N)c2)c1OC
InChIInChI=1S/C20H18N4O3/c1-26-17-8-4-7-16(19(17)27-2)13-24-18(9-10-22-24)23-20(25)15-6-3-5-14(11-15)12-21/h3-11H,13H2,1-2H3,(H,23,25)
InChIKeyUKVFWSBSIAABQG-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.07
Rot. Bonds6

About 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide

3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 18096334) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID18096334
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCOc1cccc(Cn2nccc2NC(=O)c2cccc(C#N)c2)c1OC
InChIInChI=1S/C20H18N4O3/c1-26-17-8-4-7-16(19(17)27-2)13-24-18(9-10-22-24)23-20(25)15-6-3-5-14(11-15)12-21/h3-11H,13H2,1-2H3,(H,23,25)
InChIKeyUKVFWSBSIAABQG-UHFFFAOYSA-N
XLogP3.07
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-[(3-methylphenyl)methoxy]benzamide
CID 52554971
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35324088
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55461115
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide
CID 55687161

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide (CID 18096334) is 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide is COc1cccc(Cn2nccc2NC(=O)c2cccc(C#N)c2)c1OC.
What is the InChIKey of 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is UKVFWSBSIAABQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-17-8-4-7-16(19(17)27-2)13-24-18(9-10-22-24)23-20(25)15-6-3-5-14(11-15)12-21/h3-11H,13H2,1-2H3,(H,23,25).
What are the key properties of 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide?
3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 18096334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).