N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C13H22N4O — CID 66121735

IUPACN-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCCC2N)n(C)n1
InChIInChI=1S/C13H22N4O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h8,10-11H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyCGYOXECTYWNSHW-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.98
Rot. Bonds3

About N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66121735) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66121735
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCCC2N)n(C)n1
InChIInChI=1S/C13H22N4O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h8,10-11H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyCGYOXECTYWNSHW-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120357
N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114301286
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 66120116
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66119641
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810931
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
N-[(2-bromocyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 113275160
2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66120397
N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide
CID 93452032
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66121735) is N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC2CCCCC2N)n(C)n1.
What is the InChIKey of N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is CGYOXECTYWNSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h8,10-11H,3-7,14H2,1-2H3,(H,15,18).
What are the key properties of N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).