N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride

C18H33ClN4O — CID 119590475

IUPACN-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NC(CN)C2CCCCC2)cnn1C(C)(C)C.Cl
InChIInChI=1S/C18H32N4O.ClH/c1-5-16-14(12-20-22(16)18(2,3)4)17(23)21-15(11-19)13-9-7-6-8-10-13;/h12-13,15H,5-11,19H2,1-4H3,(H,21,23);1H
InChIKeyGHZCGGULBGALGO-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.26
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119590475) has the molecular formula C18H33ClN4O and a molecular weight of 356.94 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119590475
Molecular FormulaC18H33ClN4O
Molecular Weight356.94 g/mol
Exact Mass356.23
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NC(CN)C2CCCCC2)cnn1C(C)(C)C.Cl
InChIInChI=1S/C18H32N4O.ClH/c1-5-16-14(12-20-22(16)18(2,3)4)17(23)21-15(11-19)13-9-7-6-8-10-13;/h12-13,15H,5-11,19H2,1-4H3,(H,21,23);1H
InChIKeyGHZCGGULBGALGO-UHFFFAOYSA-N
XLogP3.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-(2-amino-1-cyclohexylethyl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 119590078
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
1-tert-butyl-5-ethyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
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N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
CID 119589172
N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119589030
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride (CID 119590475) is N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)NC(CN)C2CCCCC2)cnn1C(C)(C)C.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is GHZCGGULBGALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O.ClH/c1-5-16-14(12-20-22(16)18(2,3)4)17(23)21-15(11-19)13-9-7-6-8-10-13;/h12-13,15H,5-11,19H2,1-4H3,(H,21,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.26, 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)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119590475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).