5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole

C17H15ClN2 — CID 66014891

IUPAC5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole
SMILESCc1ccccc1Cn1nc(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H15ClN2/c1-13-7-5-6-10-15(13)12-20-17(18)11-16(19-20)14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyNYCJABXGTDJYMK-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.56
Rot. Bonds3

About 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole

5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole (PubChem CID 66014891) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole.

Molecular Properties

Compound Name5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole
PubChem CID66014891
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole
SMILESCc1ccccc1Cn1nc(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H15ClN2/c1-13-7-5-6-10-15(13)12-20-17(18)11-16(19-20)14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyNYCJABXGTDJYMK-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole
CID 66015304
3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one
CID 30462724
5-chloro-3,4-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
CID 66015296
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 8699180
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 146083867
3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 17025558
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
6-chloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582051
5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole
CID 66021165
2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
CID 137444663
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole?
The IUPAC name of 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole (CID 66014891) is 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole.
What is the SMILES notation for 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole?
The canonical SMILES for 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole is Cc1ccccc1Cn1nc(-c2ccccc2)cc1Cl.
What is the InChIKey of 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole?
The InChIKey is NYCJABXGTDJYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-13-7-5-6-10-15(13)12-20-17(18)11-16(19-20)14-8-3-2-4-9-14/h2-11H,12H2,1H3.
What are the key properties of 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole?
5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole has a molecular weight of 282.77 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole is sourced from PubChem (CID 66014891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).