1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide

C22H23N3O3 — CID 9210164

IUPAC1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CC2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-19-11-8-16(12-20(19)28-2)21-18(22(26)23-17-9-10-17)14-25(24-21)13-15-6-4-3-5-7-15/h3-8,11-12,14,17H,9-10,13H2,1-2H3,(H,23,26)
InChIKeyNGTRJZTWZFEUCX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.51
Rot. Bonds7

About 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide (PubChem CID 9210164) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide
PubChem CID9210164
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CC2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-19-11-8-16(12-20(19)28-2)21-18(22(26)23-17-9-10-17)14-25(24-21)13-15-6-4-3-5-7-15/h3-8,11-12,14,17H,9-10,13H2,1-2H3,(H,23,26)
InChIKeyNGTRJZTWZFEUCX-UHFFFAOYSA-N
XLogP3.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide (CID 9210164) is 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CC2)cc1OC.
What is the InChIKey of 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is NGTRJZTWZFEUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-19-11-8-16(12-20(19)28-2)21-18(22(26)23-17-9-10-17)14-25(24-21)13-15-6-4-3-5-7-15/h3-8,11-12,14,17H,9-10,13H2,1-2H3,(H,23,26).
What are the key properties of 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 9210164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).