N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide

C18H19N3O2 — CID 95749289

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3cnn(CC4CC4)c3)c(C)c2c1
InChIInChI=1S/C18H19N3O2/c1-11-3-6-16-15(7-11)12(2)17(23-16)18(22)20-14-8-19-21(10-14)9-13-4-5-13/h3,6-8,10,13H,4-5,9H2,1-2H3,(H,20,22)
InChIKeyWCNAZCRBCTZEGF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 95749289) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID95749289
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3cnn(CC4CC4)c3)c(C)c2c1
InChIInChI=1S/C18H19N3O2/c1-11-3-6-16-15(7-11)12(2)17(23-16)18(22)20-14-8-19-21(10-14)9-13-4-5-13/h3,6-8,10,13H,4-5,9H2,1-2H3,(H,20,22)
InChIKeyWCNAZCRBCTZEGF-UHFFFAOYSA-N
XLogP3.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 95749144
3,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 9120446
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95749136
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 95744990
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 95749289) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3cnn(CC4CC4)c3)c(C)c2c1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is WCNAZCRBCTZEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-3-6-16-15(7-11)12(2)17(23-16)18(22)20-14-8-19-21(10-14)9-13-4-5-13/h3,6-8,10,13H,4-5,9H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95749289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).