(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone

C17H15ClN2O — CID 114639808

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
SMILESCC(C)n1ncc(Cl)c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-11(2)20-16(15(18)10-19-20)17(21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3
InChIKeyVTCNFTVQHQOLPD-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.50
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone (PubChem CID 114639808) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
PubChem CID114639808
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
SMILESCC(C)n1ncc(Cl)c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-11(2)20-16(15(18)10-19-20)17(21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3
InChIKeyVTCNFTVQHQOLPD-UHFFFAOYSA-N
XLogP4.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639812
(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
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylfuran-3-yl)methanone
CID 114104117
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-one
CID 115804834
(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
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone
CID 105130696
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130624
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640325
(3-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640059

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone (CID 114639808) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone is CC(C)n1ncc(Cl)c1C(=O)c1cccc2ccccc12.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone?
The InChIKey is VTCNFTVQHQOLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(2)20-16(15(18)10-19-20)17(21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone has a molecular weight of 298.77 g/mol, XLogP of 4.50, 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)-naphthalen-1-ylmethanone is sourced from PubChem (CID 114639808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).