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

C13H22N4O — CID 66119695

IUPACN-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CCCCC1N
InChIInChI=1S/C13H22N4O/c1-3-17-12(8-9(2)16-17)13(18)15-11-7-5-4-6-10(11)14/h8,10-11H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyNQIJKXJRUCXRJW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.21
Rot. Bonds3

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

N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 66119695) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID66119695
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CCCCC1N
InChIInChI=1S/C13H22N4O/c1-3-17-12(8-9(2)16-17)13(18)15-11-7-5-4-6-10(11)14/h8,10-11H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyNQIJKXJRUCXRJW-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 66119695) is N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is NQIJKXJRUCXRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-12(8-9(2)16-17)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)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66119695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).