(1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone

C14H14N2O — CID 116517050

IUPAC(1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone
SMILESCn1cc(C(=O)C2CC2c2ccccc2)cn1
InChIInChI=1S/C14H14N2O/c1-16-9-11(8-15-16)14(17)13-7-12(13)10-5-3-2-4-6-10/h2-6,8-9,12-13H,7H2,1H3
InChIKeyOBTYYEHUSBMUCX-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.41
Rot. Bonds3

About (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone

(1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone (PubChem CID 116517050) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone
PubChem CID116517050
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone
SMILESCn1cc(C(=O)C2CC2c2ccccc2)cn1
InChIInChI=1S/C14H14N2O/c1-16-9-11(8-15-16)14(17)13-7-12(13)10-5-3-2-4-6-10/h2-6,8-9,12-13H,7H2,1H3
InChIKeyOBTYYEHUSBMUCX-UHFFFAOYSA-N
XLogP2.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone (CID 116517050) is (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone is Cn1cc(C(=O)C2CC2c2ccccc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone?
The InChIKey is OBTYYEHUSBMUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16-9-11(8-15-16)14(17)13-7-12(13)10-5-3-2-4-6-10/h2-6,8-9,12-13H,7H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone?
(1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 116517050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).