5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide

C18H23N3O2 — CID 110372681

IUPAC5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(C)C)cc2C2CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-12(2)11-19-18(22)16-10-17(13-4-5-13)21(20-16)14-6-8-15(23-3)9-7-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,19,22)
InChIKeyXWIHKYYTABGLPU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.14
Rot. Bonds6

About 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide

5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 110372681) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID110372681
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(C)C)cc2C2CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-12(2)11-19-18(22)16-10-17(13-4-5-13)21(20-16)14-6-8-15(23-3)9-7-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,19,22)
InChIKeyXWIHKYYTABGLPU-UHFFFAOYSA-N
XLogP3.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372680
N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372682
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-cyclopentyl-5-cyclopropyl-1-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 110372725
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
5-cyclopropyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 32911137
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55754690
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46056147
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120521108

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 110372681) is 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)NCC(C)C)cc2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is XWIHKYYTABGLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)11-19-18(22)16-10-17(13-4-5-13)21(20-16)14-6-8-15(23-3)9-7-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,19,22).
What are the key properties of 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide?
5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110372681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).