N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride

C20H28Cl2N4O — CID 119642684

IUPACN-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1.Cl
InChIInChI=1S/C20H27ClN4O.ClH/c1-4-20(22,5-2)12-23-19(26)16-11-24-25(18(16)14-7-8-14)15-9-6-13(3)17(21)10-15;/h6,9-11,14H,4-5,7-8,12,22H2,1-3H3,(H,23,26);1H
InChIKeyUSZTZGLQHQZAJB-UHFFFAOYSA-N
MW411.38 g/mol
LogP4.38
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119642684) has the molecular formula C20H28Cl2N4O and a molecular weight of 411.38 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride
PubChem CID119642684
Molecular FormulaC20H28Cl2N4O
Molecular Weight411.38 g/mol
Exact Mass410.16
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1.Cl
InChIInChI=1S/C20H27ClN4O.ClH/c1-4-20(22,5-2)12-23-19(26)16-11-24-25(18(16)14-7-8-14)15-9-6-13(3)17(21)10-15;/h6,9-11,14H,4-5,7-8,12,22H2,1-3H3,(H,23,26);1H
InChIKeyUSZTZGLQHQZAJB-UHFFFAOYSA-N
XLogP4.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306
2-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-methylamino]acetic acid
CID 119172518
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55722150
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 120656709
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 119412250
N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
CID 55604602
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55867113
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55722244

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride (CID 119642684) is N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is USZTZGLQHQZAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O.ClH/c1-4-20(22,5-2)12-23-19(26)16-11-24-25(18(16)14-7-8-14)15-9-6-13(3)17(21)10-15;/h6,9-11,14H,4-5,7-8,12,22H2,1-3H3,(H,23,26);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 411.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119642684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).