2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H12N4O — CID 14501861

IUPAC2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(-c3ccccc3)ccnc2c1C(N)=O
InChIInChI=1S/C14H12N4O/c1-9-12(13(15)19)14-16-8-7-11(18(14)17-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,19)
InChIKeyOLQUFLGKEIZSHA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.80
Rot. Bonds2

About 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 14501861) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID14501861
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(-c3ccccc3)ccnc2c1C(N)=O
InChIInChI=1S/C14H12N4O/c1-9-12(13(15)19)14-16-8-7-11(18(14)17-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,19)
InChIKeyOLQUFLGKEIZSHA-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 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 14501861) is 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(-c3ccccc3)ccnc2c1C(N)=O.
What is the InChIKey of 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OLQUFLGKEIZSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-12(13(15)19)14-16-8-7-11(18(14)17-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,19).
What are the key properties of 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-7-phenylpyrazolo[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 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 14501861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).