4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one

C11H15N3O2 — CID 112525127

IUPAC4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one
SMILESCc1nn(C(=O)C2CCC(=O)CC2)cc1N
InChIInChI=1S/C11H15N3O2/c1-7-10(12)6-14(13-7)11(16)8-2-4-9(15)5-3-8/h6,8H,2-5,12H2,1H3
InChIKeyYCFFILCNIKWDHG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.17
Rot. Bonds1

About 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one

4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one (PubChem CID 112525127) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one
PubChem CID112525127
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one
SMILESCc1nn(C(=O)C2CCC(=O)CC2)cc1N
InChIInChI=1S/C11H15N3O2/c1-7-10(12)6-14(13-7)11(16)8-2-4-9(15)5-3-8/h6,8H,2-5,12H2,1H3
InChIKeyYCFFILCNIKWDHG-UHFFFAOYSA-N
XLogP1.17
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one?
The IUPAC name of 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one (CID 112525127) is 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one is Cc1nn(C(=O)C2CCC(=O)CC2)cc1N.
What is the InChIKey of 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one?
The InChIKey is YCFFILCNIKWDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-10(12)6-14(13-7)11(16)8-2-4-9(15)5-3-8/h6,8H,2-5,12H2,1H3.
What are the key properties of 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one?
4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one has a molecular weight of 221.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 112525127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).