5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole

C15H19ClN2 — CID 113460245

IUPAC5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole
SMILESCCC(CC)n1nc(-c2ccccc2)c(C)c1Cl
InChIInChI=1S/C15H19ClN2/c1-4-13(5-2)18-15(16)11(3)14(17-18)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3
InChIKeyMWAIURJQNPGDEO-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.87
Rot. Bonds4

About 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole

5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole (PubChem CID 113460245) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole.

Molecular Properties

Compound Name5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole
PubChem CID113460245
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole
SMILESCCC(CC)n1nc(-c2ccccc2)c(C)c1Cl
InChIInChI=1S/C15H19ClN2/c1-4-13(5-2)18-15(16)11(3)14(17-18)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3
InChIKeyMWAIURJQNPGDEO-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
3-chloro-4-pentan-3-yl-5-phenyl-1,2,4-triazole
CID 63384340
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
CID 3756816
ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine
CID 104847570
2-[3-(3-chloro-4-fluorophenyl)-4,5-dimethylpyrazol-1-yl]butan-1-ol
CID 123387208
4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 59833765
2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 104846648
[5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol
CID 62687699
1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol
CID 102048497
7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114514610

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole?
The IUPAC name of 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole (CID 113460245) is 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole.
What is the SMILES notation for 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole?
The canonical SMILES for 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole is CCC(CC)n1nc(-c2ccccc2)c(C)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole?
The InChIKey is MWAIURJQNPGDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-4-13(5-2)18-15(16)11(3)14(17-18)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3.
What are the key properties of 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole?
5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole has a molecular weight of 262.78 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole is sourced from PubChem (CID 113460245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).