(1-phenylcyclopropyl)-pyrazol-1-ylmethanone

C13H12N2O — CID 110463327

IUPAC(1-phenylcyclopropyl)-pyrazol-1-ylmethanone
SMILESO=C(n1cccn1)C1(c2ccccc2)CC1
InChIInChI=1S/C13H12N2O/c16-12(15-10-4-9-14-15)13(7-8-13)11-5-2-1-3-6-11/h1-6,9-10H,7-8H2
InChIKeyLAOZKGONRHVUBQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.26
Rot. Bonds2

About (1-phenylcyclopropyl)-pyrazol-1-ylmethanone

(1-phenylcyclopropyl)-pyrazol-1-ylmethanone (PubChem CID 110463327) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-pyrazol-1-ylmethanone
PubChem CID110463327
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(1-phenylcyclopropyl)-pyrazol-1-ylmethanone
SMILESO=C(n1cccn1)C1(c2ccccc2)CC1
InChIInChI=1S/C13H12N2O/c16-12(15-10-4-9-14-15)13(7-8-13)11-5-2-1-3-6-11/h1-6,9-10H,7-8H2
InChIKeyLAOZKGONRHVUBQ-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-pyrazol-1-ylmethanone?
The IUPAC name of (1-phenylcyclopropyl)-pyrazol-1-ylmethanone (CID 110463327) is (1-phenylcyclopropyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (1-phenylcyclopropyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (1-phenylcyclopropyl)-pyrazol-1-ylmethanone is O=C(n1cccn1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-pyrazol-1-ylmethanone?
The InChIKey is LAOZKGONRHVUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-12(15-10-4-9-14-15)13(7-8-13)11-5-2-1-3-6-11/h1-6,9-10H,7-8H2.
What are the key properties of (1-phenylcyclopropyl)-pyrazol-1-ylmethanone?
(1-phenylcyclopropyl)-pyrazol-1-ylmethanone has a molecular weight of 212.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 110463327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).