(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone

C14H14Cl2N2O — CID 115805043

IUPAC(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCc1cc(C(=O)c2c(Cl)cnn2C(C)C)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)18-13(12(16)7-17-18)14(19)10-4-5-11(15)9(3)6-10/h4-8H,1-3H3
InChIKeyDODHQWLQUWJEIO-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.31
Rot. Bonds3

About (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone

(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 115805043) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID115805043
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCc1cc(C(=O)c2c(Cl)cnn2C(C)C)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)18-13(12(16)7-17-18)14(19)10-4-5-11(15)9(3)6-10/h4-8H,1-3H3
InChIKeyDODHQWLQUWJEIO-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640059
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone
CID 114638804
(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)methanone
CID 115804970
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone
CID 105130696
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methanone
CID 115815253
(3-chloro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810617
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanone
CID 115805047
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 114668416
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640157
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone (CID 115805043) is (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone is Cc1cc(C(=O)c2c(Cl)cnn2C(C)C)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is DODHQWLQUWJEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8(2)18-13(12(16)7-17-18)14(19)10-4-5-11(15)9(3)6-10/h4-8H,1-3H3.
What are the key properties of (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 297.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 115805043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).