(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone

C14H15ClN2O — CID 114638889

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C14H15ClN2O/c1-9(2)10-4-6-11(7-5-10)14(18)13-12(15)8-16-17(13)3/h4-9H,1-3H3
InChIKeyGVKAGKPCVPRUAO-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.43
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 114638889) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID114638889
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C14H15ClN2O/c1-9(2)10-4-6-11(7-5-10)14(18)13-12(15)8-16-17(13)3/h4-9H,1-3H3
InChIKeyGVKAGKPCVPRUAO-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.43
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)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone (CID 114638889) is (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is GVKAGKPCVPRUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9(2)10-4-6-11(7-5-10)14(18)13-12(15)8-16-17(13)3/h4-9H,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 262.74 g/mol, XLogP of 3.43, 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)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 114638889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).