5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole

C15H13ClN2 — CID 71502219

IUPAC5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole
SMILESCc1nn(C)c(Cl)c1-c1ccc2ccccc2c1
InChIInChI=1S/C15H13ClN2/c1-10-14(15(16)18(2)17-10)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1-2H3
InChIKeyQFZHBNCSYNQHMH-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.20
Rot. Bonds1

About 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole

5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole (PubChem CID 71502219) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole
PubChem CID71502219
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole
SMILESCc1nn(C)c(Cl)c1-c1ccc2ccccc2c1
InChIInChI=1S/C15H13ClN2/c1-10-14(15(16)18(2)17-10)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1-2H3
InChIKeyQFZHBNCSYNQHMH-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,5,6-tetramethylphenyl)naphthalene
CID 90733282
5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one
CID 22185179
5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 22440103
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde
CID 84761398
2-(5-chloro-2-propan-2-ylphenyl)naphthalene
CID 142314685
(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 41352592
2-(1,3,5-trimethylpyrazol-4-yl)quinoline
CID 123470704
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
2-chloro-3-(3-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 86035630
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine
CID 59796890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole?
The IUPAC name of 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole (CID 71502219) is 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole.
What is the SMILES notation for 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole?
The canonical SMILES for 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole is Cc1nn(C)c(Cl)c1-c1ccc2ccccc2c1.
What is the InChIKey of 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole?
The InChIKey is QFZHBNCSYNQHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-10-14(15(16)18(2)17-10)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole?
5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole has a molecular weight of 256.74 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole is sourced from PubChem (CID 71502219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).