N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide

C13H21N3O — CID 63999032

IUPACN-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C13H21N3O/c1-9(2)6-7-16(11-4-5-11)13(17)12-8-14-15-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,14,15)
InChIKeyQJJPWYIHLMTMJH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.37
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide

N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide (PubChem CID 63999032) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide
PubChem CID63999032
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C13H21N3O/c1-9(2)6-7-16(11-4-5-11)13(17)12-8-14-15-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,14,15)
InChIKeyQJJPWYIHLMTMJH-UHFFFAOYSA-N
XLogP2.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
CID 63999824
4-amino-N-cyclopropyl-6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 81239834
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 113228627
1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 78977040
N-cyclopropyl-5-hydroxy-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63860319
5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 63997221
N-cyclopropyl-2-hydrazinyl-5-methyl-N-(3-methylbutyl)benzamide
CID 78991041
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115281184
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide (CID 63999032) is N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N(CCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is QJJPWYIHLMTMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)6-7-16(11-4-5-11)13(17)12-8-14-15-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide?
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63999032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).