3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole

C14H14N4 — CID 58965510

IUPAC3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole
SMILESCc1ccn(-c2cccc(-n3ccc(C)n3)c2)n1
InChIInChI=1S/C14H14N4/c1-11-6-8-17(15-11)13-4-3-5-14(10-13)18-9-7-12(2)16-18/h3-10H,1-2H3
InChIKeyRTJKZUNIWHSYEC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.67
Rot. Bonds2

About 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole

3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole (PubChem CID 58965510) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole.

Molecular Properties

Compound Name3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole
PubChem CID58965510
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole
SMILESCc1ccn(-c2cccc(-n3ccc(C)n3)c2)n1
InChIInChI=1S/C14H14N4/c1-11-6-8-17(15-11)13-4-3-5-14(10-13)18-9-7-12(2)16-18/h3-10H,1-2H3
InChIKeyRTJKZUNIWHSYEC-UHFFFAOYSA-N
XLogP2.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole?
The IUPAC name of 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole (CID 58965510) is 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole.
What is the SMILES notation for 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole?
The canonical SMILES for 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole is Cc1ccn(-c2cccc(-n3ccc(C)n3)c2)n1.
What is the InChIKey of 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole?
The InChIKey is RTJKZUNIWHSYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-11-6-8-17(15-11)13-4-3-5-14(10-13)18-9-7-12(2)16-18/h3-10H,1-2H3.
What are the key properties of 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole?
3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole has a molecular weight of 238.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole is sourced from PubChem (CID 58965510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).