N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C15H14N4O — CID 110851024

IUPACN-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(NC(=O)c1ccnc2ccnn12)c1ccccc1
InChIInChI=1S/C15H14N4O/c1-11(12-5-3-2-4-6-12)18-15(20)13-7-9-16-14-8-10-17-19(13)14/h2-11H,1H3,(H,18,20)
InChIKeyPHPHTJXTZMTRBM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.22
Rot. Bonds3

About N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 110851024) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID110851024
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(NC(=O)c1ccnc2ccnn12)c1ccccc1
InChIInChI=1S/C15H14N4O/c1-11(12-5-3-2-4-6-12)18-15(20)13-7-9-16-14-8-10-17-19(13)14/h2-11H,1H3,(H,18,20)
InChIKeyPHPHTJXTZMTRBM-UHFFFAOYSA-N
XLogP2.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841032
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide
CID 90104072
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482443
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 110851024) is N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(NC(=O)c1ccnc2ccnn12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PHPHTJXTZMTRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11(12-5-3-2-4-6-12)18-15(20)13-7-9-16-14-8-10-17-19(13)14/h2-11H,1H3,(H,18,20).
What are the key properties of N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 110851024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).