3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one

C12H18N2O — CID 116538540

IUPAC3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one
SMILESCCCn1cc(C2(C)CCC(=O)C2)cn1
InChIInChI=1S/C12H18N2O/c1-3-6-14-9-10(8-13-14)12(2)5-4-11(15)7-12/h8-9H,3-7H2,1-2H3
InChIKeyYEVHWCDQARFTAK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.30
Rot. Bonds3

About 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one

3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one (PubChem CID 116538540) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one
PubChem CID116538540
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one
SMILESCCCn1cc(C2(C)CCC(=O)C2)cn1
InChIInChI=1S/C12H18N2O/c1-3-6-14-9-10(8-13-14)12(2)5-4-11(15)7-12/h8-9H,3-7H2,1-2H3
InChIKeyYEVHWCDQARFTAK-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one?
The IUPAC name of 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one (CID 116538540) is 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one is CCCn1cc(C2(C)CCC(=O)C2)cn1.
What is the InChIKey of 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one?
The InChIKey is YEVHWCDQARFTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-6-14-9-10(8-13-14)12(2)5-4-11(15)7-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one?
3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one has a molecular weight of 206.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one is sourced from PubChem (CID 116538540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).