3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride

C18H33ClN4O — CID 119747399

IUPAC3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)C2CCCC(N)C2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C18H32N4O.ClH/c1-17(2,3)14-11-15(22(21-14)18(4,5)6)20-16(23)12-8-7-9-13(19)10-12;/h11-13H,7-10,19H2,1-6H3,(H,20,23);1H
InChIKeyVNHORRQYGHEELC-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.81
Rot. Bonds2

About 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119747399) has the molecular formula C18H33ClN4O and a molecular weight of 356.94 g/mol. Its IUPAC name is 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119747399
Molecular FormulaC18H33ClN4O
Molecular Weight356.94 g/mol
Exact Mass356.23
IUPAC Name3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)C2CCCC(N)C2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C18H32N4O.ClH/c1-17(2,3)14-11-15(22(21-14)18(4,5)6)20-16(23)12-8-7-9-13(19)10-12;/h11-13H,7-10,19H2,1-6H3,(H,20,23);1H
InChIKeyVNHORRQYGHEELC-UHFFFAOYSA-N
XLogP3.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-N-(1,3-ditert-butylpyrazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 95174335
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3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
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N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 139009277
N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]cyclobutanecarboxamide
CID 35785568
1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926302
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 55146550
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide
CID 63041784

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119747399) is 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride is CC(C)(C)c1cc(NC(=O)C2CCCC(N)C2)n(C(C)(C)C)n1.Cl.
What is the InChIKey of 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VNHORRQYGHEELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O.ClH/c1-17(2,3)14-11-15(22(21-14)18(4,5)6)20-16(23)12-8-7-9-13(19)10-12;/h11-13H,7-10,19H2,1-6H3,(H,20,23);1H.
What are the key properties of 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-ditert-butylpyrazol-5-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119747399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).