2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine

C15H14N4 — CID 66502793

IUPAC2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
SMILESCc1nccc(-c2cn(-c3ccccc3)nc2C)n1
InChIInChI=1S/C15H14N4/c1-11-14(15-8-9-16-12(2)17-15)10-19(18-11)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyQGTHSWMTBXAJDM-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds2

About 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine

2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine (PubChem CID 66502793) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
PubChem CID66502793
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
SMILESCc1nccc(-c2cn(-c3ccccc3)nc2C)n1
InChIInChI=1S/C15H14N4/c1-11-14(15-8-9-16-12(2)17-15)10-19(18-11)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyQGTHSWMTBXAJDM-UHFFFAOYSA-N
XLogP2.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine (CID 66502793) is 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine is Cc1nccc(-c2cn(-c3ccccc3)nc2C)n1.
What is the InChIKey of 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine?
The InChIKey is QGTHSWMTBXAJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-14(15-8-9-16-12(2)17-15)10-19(18-11)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine?
2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine has a molecular weight of 250.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 66502793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).