4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one

C10H13N3O2 — CID 112525017

IUPAC4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one
SMILESNc1cnn(C(=O)C2CCC(=O)CC2)c1
InChIInChI=1S/C10H13N3O2/c11-8-5-12-13(6-8)10(15)7-1-3-9(14)4-2-7/h5-7H,1-4,11H2
InChIKeyAWFTZMWYXNMUHY-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.86
Rot. Bonds1

About 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one

4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one (PubChem CID 112525017) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one
PubChem CID112525017
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one
SMILESNc1cnn(C(=O)C2CCC(=O)CC2)c1
InChIInChI=1S/C10H13N3O2/c11-8-5-12-13(6-8)10(15)7-1-3-9(14)4-2-7/h5-7H,1-4,11H2
InChIKeyAWFTZMWYXNMUHY-UHFFFAOYSA-N
XLogP0.86
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one?
The IUPAC name of 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one (CID 112525017) is 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one is Nc1cnn(C(=O)C2CCC(=O)CC2)c1.
What is the InChIKey of 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one?
The InChIKey is AWFTZMWYXNMUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8-5-12-13(6-8)10(15)7-1-3-9(14)4-2-7/h5-7H,1-4,11H2.
What are the key properties of 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one?
4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one has a molecular weight of 207.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 112525017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).