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

C15H17ClN2O3 — CID 114638804

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(Cl)cnn2C(C)C)cc1OC
InChIInChI=1S/C15H17ClN2O3/c1-9(2)18-14(11(16)8-17-18)15(19)10-5-6-12(20-3)13(7-10)21-4/h5-9H,1-4H3
InChIKeyPERJKOVCODJIAV-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.37
Rot. Bonds5

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

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 114638804) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone
PubChem CID114638804
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(Cl)cnn2C(C)C)cc1OC
InChIInChI=1S/C15H17ClN2O3/c1-9(2)18-14(11(16)8-17-18)15(19)10-5-6-12(20-3)13(7-10)21-4/h5-9H,1-4H3
InChIKeyPERJKOVCODJIAV-UHFFFAOYSA-N
XLogP3.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(3-chloro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810617
(3-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640059
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130624
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone
CID 105130696
(3-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642208
(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
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanone
CID 115805047
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
(2-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639921
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
CID 115804970

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone (CID 114638804) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2c(Cl)cnn2C(C)C)cc1OC.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is PERJKOVCODJIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9(2)18-14(11(16)8-17-18)15(19)10-5-6-12(20-3)13(7-10)21-4/h5-9H,1-4H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 308.77 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 114638804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).