N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide

C13H21N3O — CID 113245552

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
SMILESCCc1cc(NC(=O)C2CCC(C)CC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-3-11-8-12(16-15-11)14-13(17)10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyRAKFYPFYYAWQDM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 113245552) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID113245552
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
SMILESCCc1cc(NC(=O)C2CCC(C)CC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-3-11-8-12(16-15-11)14-13(17)10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyRAKFYPFYYAWQDM-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115644958
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CID 115619791
N-(5-ethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 104619559
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 104617966
N-(5-ethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
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N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104619555
1-(cyclopropylmethyl)-N-(5-ethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 47423411
2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593738
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CID 97329392
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
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(5-ethyl-1H-pyrazol-3-yl)urea
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CID 65022914

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide (CID 113245552) is N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide is CCc1cc(NC(=O)C2CCC(C)CC2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is RAKFYPFYYAWQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11-8-12(16-15-11)14-13(17)10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 113245552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).