(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone

C15H15ClN2O — CID 114640025

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H15ClN2O/c1-18-13(12(16)10-17-18)14(19)15(8-5-9-15)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyTVNMLDPQINIEIC-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.38
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone (PubChem CID 114640025) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
PubChem CID114640025
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H15ClN2O/c1-18-13(12(16)10-17-18)14(19)15(8-5-9-15)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyTVNMLDPQINIEIC-UHFFFAOYSA-N
XLogP3.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone (CID 114640025) is (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone is Cn1ncc(Cl)c1C(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone?
The InChIKey is TVNMLDPQINIEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18-13(12(16)10-17-18)14(19)15(8-5-9-15)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone has a molecular weight of 274.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone is sourced from PubChem (CID 114640025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).