N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide

C19H25ClN4O — CID 119613141

IUPACN-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NC(CN)C2CC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C19H25ClN4O/c1-19(2,3)24-11-14(18(25)22-16(10-21)12-8-9-12)17(23-24)13-6-4-5-7-15(13)20/h4-7,11-12,16H,8-10,21H2,1-3H3,(H,22,25)
InChIKeyJIFZVURYERXEPM-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.43
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 119613141) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
PubChem CID119613141
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NC(CN)C2CC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C19H25ClN4O/c1-19(2,3)24-11-14(18(25)22-16(10-21)12-8-9-12)17(23-24)13-6-4-5-7-15(13)20/h4-7,11-12,16H,8-10,21H2,1-3H3,(H,22,25)
InChIKeyJIFZVURYERXEPM-UHFFFAOYSA-N
XLogP3.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 119617801
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 119592127
3-[[1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 119221206
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
CID 119626136
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(3-aminopropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
CID 119405158
1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119449855
(E)-2-[[1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carbonyl]amino]hex-4-enoic acid
CID 120693538
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119555330
[(3R)-3-aminopyrrolidin-1-yl]-[1-tert-butyl-3-(2-chlorophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119409559
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119590660

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide (CID 119613141) is N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NC(CN)C2CC2)c(-c2ccccc2Cl)n1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is JIFZVURYERXEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-19(2,3)24-11-14(18(25)22-16(10-21)12-8-9-12)17(23-24)13-6-4-5-7-15(13)20/h4-7,11-12,16H,8-10,21H2,1-3H3,(H,22,25).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.43, 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)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119613141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).