5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide

C13H22N4O — CID 115330542

IUPAC5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCCC1CCC(NC(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C13H22N4O/c1-3-9-4-6-10(7-5-9)16-13(18)11-8-15-17(2)12(11)14/h8-10H,3-7,14H2,1-2H3,(H,16,18)
InChIKeyOITBDUYEYLWTMF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.70
Rot. Bonds3

About 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide (PubChem CID 115330542) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
PubChem CID115330542
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCCC1CCC(NC(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C13H22N4O/c1-3-9-4-6-10(7-5-9)16-13(18)11-8-15-17(2)12(11)14/h8-10H,3-7,14H2,1-2H3,(H,16,18)
InChIKeyOITBDUYEYLWTMF-UHFFFAOYSA-N
XLogP1.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104589681
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5-amino-N-(1-cyclopentylpyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
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5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 113288605
5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213743
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
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5-amino-N-butyl-1-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide (CID 115330542) is 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide is CCC1CCC(NC(=O)c2cnn(C)c2N)CC1.
What is the InChIKey of 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is OITBDUYEYLWTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-9-4-6-10(7-5-9)16-13(18)11-8-15-17(2)12(11)14/h8-10H,3-7,14H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).