3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole

C15H15ClN4 — CID 118864187

IUPAC3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
SMILESCc1cc(-c2cnn(Cc3ccn(C)n3)c2)ccc1Cl
InChIInChI=1S/C15H15ClN4/c1-11-7-12(3-4-15(11)16)13-8-17-20(9-13)10-14-5-6-19(2)18-14/h3-9H,10H2,1-2H3
InChIKeyAENUUQTUDHOBSJ-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.29
Rot. Bonds3

About 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole

3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole (PubChem CID 118864187) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
PubChem CID118864187
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
SMILESCc1cc(-c2cnn(Cc3ccn(C)n3)c2)ccc1Cl
InChIInChI=1S/C15H15ClN4/c1-11-7-12(3-4-15(11)16)13-8-17-20(9-13)10-14-5-6-19(2)18-14/h3-9H,10H2,1-2H3
InChIKeyAENUUQTUDHOBSJ-UHFFFAOYSA-N
XLogP3.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole (CID 118864187) is 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole is Cc1cc(-c2cnn(Cc3ccn(C)n3)c2)ccc1Cl.
What is the InChIKey of 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?
The InChIKey is AENUUQTUDHOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-11-7-12(3-4-15(11)16)13-8-17-20(9-13)10-14-5-6-19(2)18-14/h3-9H,10H2,1-2H3.
What are the key properties of 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?
3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole has a molecular weight of 286.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chloro-3-methylphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 118864187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).