N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide

C11H15N3O2 — CID 112524854

IUPACN-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide
SMILESCn1nccc1NC(=O)C1CCC(=O)CC1
InChIInChI=1S/C11H15N3O2/c1-14-10(6-7-12-14)13-11(16)8-2-4-9(15)5-3-8/h6-8H,2-5H2,1H3,(H,13,16)
InChIKeyFEVJBHRYOHYZLA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.12
Rot. Bonds2

About N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide

N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide (PubChem CID 112524854) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide
PubChem CID112524854
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide
SMILESCn1nccc1NC(=O)C1CCC(=O)CC1
InChIInChI=1S/C11H15N3O2/c1-14-10(6-7-12-14)13-11(16)8-2-4-9(15)5-3-8/h6-8H,2-5H2,1H3,(H,13,16)
InChIKeyFEVJBHRYOHYZLA-UHFFFAOYSA-N
XLogP1.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235020
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
(2S)-N-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 94001045
5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112524848
(2S,5R)-5-(aminomethyl)-N-(2-methylpyrazol-3-yl)oxolane-2-carboxamide
CID 120786012
1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
CID 56573678
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
CID 167816670
N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469787
1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096981
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)cyclopropanecarboxamide
CID 134797879
1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea
CID 108813610

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide (CID 112524854) is N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide is Cn1nccc1NC(=O)C1CCC(=O)CC1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide?
The InChIKey is FEVJBHRYOHYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-10(6-7-12-14)13-11(16)8-2-4-9(15)5-3-8/h6-8H,2-5H2,1H3,(H,13,16).
What are the key properties of N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide?
N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 112524854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).