N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C16H22N4O — CID 119494999

IUPACN-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCC(C)N
InChIInChI=1S/C16H22N4O/c1-11(17)9-10-18-16(21)15-12(2)19-20(13(15)3)14-7-5-4-6-8-14/h4-8,11H,9-10,17H2,1-3H3,(H,18,21)
InChIKeyZYOLMJWOIMKUCP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds5

About N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 119494999) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID119494999
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCC(C)N
InChIInChI=1S/C16H22N4O/c1-11(17)9-10-18-16(21)15-12(2)19-20(13(15)3)14-7-5-4-6-8-14/h4-8,11H,9-10,17H2,1-3H3,(H,18,21)
InChIKeyZYOLMJWOIMKUCP-UHFFFAOYSA-N
XLogP1.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
CID 33076349
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134029697
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477748
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685
N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119497704
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 36645347
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 112792818

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 119494999) is N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZYOLMJWOIMKUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(17)9-10-18-16(21)15-12(2)19-20(13(15)3)14-7-5-4-6-8-14/h4-8,11H,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 119494999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).