N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide

C18H23N3O2 — CID 110372680

IUPACN-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(C2CC2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-3-4-11-19-18(22)16-12-17(13-5-6-13)21(20-16)14-7-9-15(23-2)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyNPSKQOQRKWTPLP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.29
Rot. Bonds7

About N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide

N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 110372680) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID110372680
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(C2CC2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-3-4-11-19-18(22)16-12-17(13-5-6-13)21(20-16)14-7-9-15(23-2)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyNPSKQOQRKWTPLP-UHFFFAOYSA-N
XLogP3.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110372681
N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372682
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82089498
N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372699
N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
N-cyclopentyl-5-cyclopropyl-1-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 110372725
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109361864
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-(cyclopropanecarbonylamino)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998610

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 110372680) is N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide is CCCCNC(=O)c1cc(C2CC2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is NPSKQOQRKWTPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-4-11-19-18(22)16-12-17(13-5-6-13)21(20-16)14-7-9-15(23-2)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3,(H,19,22).
What are the key properties of N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110372680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).