1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole

C16H18N4 — CID 58965516

IUPAC1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole
SMILESCc1ccn(-c2cc(-n3ccc(C)n3)c(C)cc2C)n1
InChIInChI=1S/C16H18N4/c1-11-9-12(2)16(20-8-6-14(4)18-20)10-15(11)19-7-5-13(3)17-19/h5-10H,1-4H3
InChIKeySBCIMEUMBFRZFB-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.29
Rot. Bonds2

About 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole

1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole (PubChem CID 58965516) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole
PubChem CID58965516
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole
SMILESCc1ccn(-c2cc(-n3ccc(C)n3)c(C)cc2C)n1
InChIInChI=1S/C16H18N4/c1-11-9-12(2)16(20-8-6-14(4)18-20)10-15(11)19-7-5-13(3)17-19/h5-10H,1-4H3
InChIKeySBCIMEUMBFRZFB-UHFFFAOYSA-N
XLogP3.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole?
The IUPAC name of 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole (CID 58965516) is 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole.
What is the SMILES notation for 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole?
The canonical SMILES for 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole is Cc1ccn(-c2cc(-n3ccc(C)n3)c(C)cc2C)n1.
What is the InChIKey of 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole?
The InChIKey is SBCIMEUMBFRZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-9-12(2)16(20-8-6-14(4)18-20)10-15(11)19-7-5-13(3)17-19/h5-10H,1-4H3.
What are the key properties of 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole?
1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole has a molecular weight of 266.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole is sourced from PubChem (CID 58965516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).