3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide

C13H22N4O — CID 55146550

IUPAC3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C13H22N4O/c1-8-12(9(2)17(3)16-8)15-13(18)10-5-4-6-11(14)7-10/h10-11H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyIJHDNKLURHEBQT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.49
Rot. Bonds2

About 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide

3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 55146550) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
PubChem CID55146550
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C13H22N4O/c1-8-12(9(2)17(3)16-8)15-13(18)10-5-4-6-11(14)7-10/h10-11H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyIJHDNKLURHEBQT-UHFFFAOYSA-N
XLogP1.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 61254029
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 30663515
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
CID 63042160
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390455

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide (CID 55146550) is 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide is Cc1nn(C)c(C)c1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is IJHDNKLURHEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-12(9(2)17(3)16-8)15-13(18)10-5-4-6-11(14)7-10/h10-11H,4-7,14H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55146550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).