7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C14H13N3 — CID 71200006

IUPAC7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(C)n3nccc3n2)cc1
InChIInChI=1S/C14H13N3/c1-10-3-5-12(6-4-10)13-9-11(2)17-14(16-13)7-8-15-17/h3-9H,1-2H3
InChIKeyNGHQBVLJAKVVNT-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.01
Rot. Bonds1

About 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 71200006) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID71200006
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(C)n3nccc3n2)cc1
InChIInChI=1S/C14H13N3/c1-10-3-5-12(6-4-10)13-9-11(2)17-14(16-13)7-8-15-17/h3-9H,1-2H3
InChIKeyNGHQBVLJAKVVNT-UHFFFAOYSA-N
XLogP3.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 71200006) is 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cc(C)n3nccc3n2)cc1.
What is the InChIKey of 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NGHQBVLJAKVVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-3-5-12(6-4-10)13-9-11(2)17-14(16-13)7-8-15-17/h3-9H,1-2H3.
What are the key properties of 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 223.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71200006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).