(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone

C16H15ClN2O2 — CID 105130630

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3c(Cl)cnn3C(C)C)cc2c1
InChIInChI=1S/C16H15ClN2O2/c1-9(2)19-15(12(17)8-18-19)16(20)14-7-11-6-10(3)4-5-13(11)21-14/h4-9H,1-3H3
InChIKeyYWDNKDDOLGLFST-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.40
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 105130630) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID105130630
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3c(Cl)cnn3C(C)C)cc2c1
InChIInChI=1S/C16H15ClN2O2/c1-9(2)19-15(12(17)8-18-19)16(20)14-7-11-6-10(3)4-5-13(11)21-14/h4-9H,1-3H3
InChIKeyYWDNKDDOLGLFST-UHFFFAOYSA-N
XLogP4.40
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130288
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
CID 115804970
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanone
CID 115805047
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
(2-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639921
(3-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640059
2-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114668152
N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62084978
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone
CID 114639985

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 105130630) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)c3c(Cl)cnn3C(C)C)cc2c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is YWDNKDDOLGLFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-9(2)19-15(12(17)8-18-19)16(20)14-7-11-6-10(3)4-5-13(11)21-14/h4-9H,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 302.76 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105130630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).