3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole

C17H19ClN4 — CID 135065433

IUPAC3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole
SMILESCCCc1c(-c2cnn(C)c2)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C17H19ClN4/c1-4-5-15-16(13-10-19-21(2)11-13)17(20-22(15)3)12-6-8-14(18)9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyOJZAHVAJOGTFIS-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.09
Rot. Bonds4

About 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole

3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole (PubChem CID 135065433) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole
PubChem CID135065433
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole
SMILESCCCc1c(-c2cnn(C)c2)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C17H19ClN4/c1-4-5-15-16(13-10-19-21(2)11-13)17(20-22(15)3)12-6-8-14(18)9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyOJZAHVAJOGTFIS-UHFFFAOYSA-N
XLogP4.09
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole (CID 135065433) is 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole is CCCc1c(-c2cnn(C)c2)c(-c2ccc(Cl)cc2)nn1C.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole?
The InChIKey is OJZAHVAJOGTFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-4-5-15-16(13-10-19-21(2)11-13)17(20-22(15)3)12-6-8-14(18)9-7-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole?
3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole has a molecular weight of 314.82 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole is sourced from PubChem (CID 135065433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).