(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone

C15H17ClN2O — CID 115804970

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2c(Cl)cnn2C(C)C)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)18-14(13(16)8-17-18)15(19)12-7-10(3)5-6-11(12)4/h5-9H,1-4H3
InChIKeyHMNWKHLMVYSVPB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.97
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 115804970) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
PubChem CID115804970
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2c(Cl)cnn2C(C)C)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)18-14(13(16)8-17-18)15(19)12-7-10(3)5-6-11(12)4/h5-9H,1-4H3
InChIKeyHMNWKHLMVYSVPB-UHFFFAOYSA-N
XLogP3.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640157
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(2-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639921
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130630
(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639808
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanone
CID 115805047
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 114639909
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
(3-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640059
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylfuran-3-yl)methanone
CID 114104117
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130624
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
CID 114634943

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone (CID 115804970) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2c(Cl)cnn2C(C)C)c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is HMNWKHLMVYSVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)18-14(13(16)8-17-18)15(19)12-7-10(3)5-6-11(12)4/h5-9H,1-4H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 276.77 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115804970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).