7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H12N4O — CID 15042086

IUPAC7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(-c2ccnc3c(C(N)=O)cnn23)c1
InChIInChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)
InChIKeyHNKGGVGQAVODNJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.80
Rot. Bonds2

About 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15042086) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15042086
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(-c2ccnc3c(C(N)=O)cnn23)c1
InChIInChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)
InChIKeyHNKGGVGQAVODNJ-UHFFFAOYSA-N
XLogP1.80
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15042086) is 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(-c2ccnc3c(C(N)=O)cnn23)c1.
What is the InChIKey of 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HNKGGVGQAVODNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19).
What are the key properties of 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15042086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).