5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide

C13H22N4O — CID 113288605

IUPAC5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cnn(C)c2N)C(C)C1
InChIInChI=1S/C13H22N4O/c1-8-4-5-11(9(2)6-8)16-13(18)10-7-15-17(3)12(10)14/h7-9,11H,4-6,14H2,1-3H3,(H,16,18)
InChIKeyQQIPVOLBNPNPBC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.56
Rot. Bonds2

About 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide (PubChem CID 113288605) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
PubChem CID113288605
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cnn(C)c2N)C(C)C1
InChIInChI=1S/C13H22N4O/c1-8-4-5-11(9(2)6-8)16-13(18)10-7-15-17(3)12(10)14/h7-9,11H,4-6,14H2,1-3H3,(H,16,18)
InChIKeyQQIPVOLBNPNPBC-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-amino-1-methyl-N-(2-methylsulfanylcyclopentyl)pyrazole-4-carboxamide
CID 104589557
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
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CID 116631212
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CID 83022591
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CID 106686861
5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide
CID 104589681
5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485263
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide (CID 113288605) is 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide is CC1CCC(NC(=O)c2cnn(C)c2N)C(C)C1.
What is the InChIKey of 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is QQIPVOLBNPNPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-4-5-11(9(2)6-8)16-13(18)10-7-15-17(3)12(10)14/h7-9,11H,4-6,14H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 113288605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).