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

C14H12N4O — CID 807561

IUPAC7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(N)=O)nn12
InChIInChI=1S/C14H12N4O/c1-9-7-11(10-5-3-2-4-6-10)16-13-8-12(14(15)19)17-18(9)13/h2-8H,1H3,(H2,15,19)
InChIKeyCFOUSGFXETXEKJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.80
Rot. Bonds2

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

7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 807561) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID807561
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(N)=O)nn12
InChIInChI=1S/C14H12N4O/c1-9-7-11(10-5-3-2-4-6-10)16-13-8-12(14(15)19)17-18(9)13/h2-8H,1H3,(H2,15,19)
InChIKeyCFOUSGFXETXEKJ-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-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 807561) is 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(-c2ccccc2)nc2cc(C(N)=O)nn12.
What is the InChIKey of 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CFOUSGFXETXEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-7-11(10-5-3-2-4-6-10)16-13-8-12(14(15)19)17-18(9)13/h2-8H,1H3,(H2,15,19).
What are the key properties of 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-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-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 807561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).