1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole

C18H17ClN6 — CID 17026020

IUPAC1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(Cc3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C18H17ClN6/c1-23-11-14(8-20-23)17-7-18(15-9-21-24(2)12-15)25(22-17)10-13-4-3-5-16(19)6-13/h3-9,11-12H,10H2,1-2H3
InChIKeySTQXBGOMNZCELY-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.39
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole

1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole (PubChem CID 17026020) has the molecular formula C18H17ClN6 and a molecular weight of 352.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole
PubChem CID17026020
Molecular FormulaC18H17ClN6
Molecular Weight352.83 g/mol
Exact Mass352.12
IUPAC Name1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(Cc3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C18H17ClN6/c1-23-11-14(8-20-23)17-7-18(15-9-21-24(2)12-15)25(22-17)10-13-4-3-5-16(19)6-13/h3-9,11-12H,10H2,1-2H3
InChIKeySTQXBGOMNZCELY-UHFFFAOYSA-N
XLogP3.39
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole (CID 17026020) is 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole is Cn1cc(-c2cc(-c3cnn(C)c3)n(Cc3cccc(Cl)c3)n2)cn1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The InChIKey is STQXBGOMNZCELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6/c1-23-11-14(8-20-23)17-7-18(15-9-21-24(2)12-15)25(22-17)10-13-4-3-5-16(19)6-13/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole has a molecular weight of 352.83 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 17026020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).