N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide

C19H25ClN4O — CID 119592127

IUPACN-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(CN)C2CCCCC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C19H25ClN4O/c1-24-12-15(18(23-24)14-9-5-6-10-16(14)20)19(25)22-17(11-21)13-7-3-2-4-8-13/h5-6,9-10,12-13,17H,2-4,7-8,11,21H2,1H3,(H,22,25)
InChIKeyKCGHXKFTBLAFLG-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.38
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide

N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 119592127) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID119592127
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(CN)C2CCCCC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C19H25ClN4O/c1-24-12-15(18(23-24)14-9-5-6-10-16(14)20)19(25)22-17(11-21)13-7-3-2-4-8-13/h5-6,9-10,12-13,17H,2-4,7-8,11,21H2,1H3,(H,22,25)
InChIKeyKCGHXKFTBLAFLG-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
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N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
CID 111471226
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride
CID 119590571
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide (CID 119592127) is N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(CN)C2CCCCC2)c(-c2ccccc2Cl)n1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is KCGHXKFTBLAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-24-12-15(18(23-24)14-9-5-6-10-16(14)20)19(25)22-17(11-21)13-7-3-2-4-8-13/h5-6,9-10,12-13,17H,2-4,7-8,11,21H2,1H3,(H,22,25).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide?
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.38, 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-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119592127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).