N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide

C13H21N3O — CID 106827945

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide
SMILESCCc1cn[nH]c1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H21N3O/c1-3-10-9-14-16-11(10)15-12(17)13(2)7-5-4-6-8-13/h9H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyHLKJHBMJQHLLEQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.88
Rot. Bonds3

About N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide

N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106827945) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106827945
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide
SMILESCCc1cn[nH]c1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H21N3O/c1-3-10-9-14-16-11(10)15-12(17)13(2)7-5-4-6-8-13/h9H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyHLKJHBMJQHLLEQ-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 104617433
(2R)-N-(4-ethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide (CID 106827945) is N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide is CCc1cn[nH]c1NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is HLKJHBMJQHLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10-9-14-16-11(10)15-12(17)13(2)7-5-4-6-8-13/h9H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide?
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).