N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride

C17H23ClN4O — CID 119612944

IUPACN-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-11-16(17(22)19-15(10-18)13-8-9-13)12(2)21(20-11)14-6-4-3-5-7-14;/h3-7,13,15H,8-10,18H2,1-2H3,(H,19,22);1H
InChIKeySCSAFAKPXLZBIW-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.38
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119612944) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119612944
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-11-16(17(22)19-15(10-18)13-8-9-13)12(2)21(20-11)14-6-4-3-5-7-14;/h3-7,13,15H,8-10,18H2,1-2H3,(H,19,22);1H
InChIKeySCSAFAKPXLZBIW-UHFFFAOYSA-N
XLogP2.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.38
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
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119617682
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 119615030
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119616799
N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477580
N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 119615452
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119614921

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119612944) is N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is SCSAFAKPXLZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-11-16(17(22)19-15(10-18)13-8-9-13)12(2)21(20-11)14-6-4-3-5-7-14;/h3-7,13,15H,8-10,18H2,1-2H3,(H,19,22);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119612944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).