N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H16N4O — CID 19416921

IUPACN-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(NC(=O)c1cc2ncccn2n1)c1ccccc1
InChIInChI=1S/C16H16N4O/c1-2-13(12-7-4-3-5-8-12)18-16(21)14-11-15-17-9-6-10-20(15)19-14/h3-11,13H,2H2,1H3,(H,18,21)
InChIKeyPNRXKGKFAKUSLT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.61
Rot. Bonds4

About N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19416921) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19416921
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(NC(=O)c1cc2ncccn2n1)c1ccccc1
InChIInChI=1S/C16H16N4O/c1-2-13(12-7-4-3-5-8-12)18-16(21)14-11-15-17-9-6-10-20(15)19-14/h3-11,13H,2H2,1H3,(H,18,21)
InChIKeyPNRXKGKFAKUSLT-UHFFFAOYSA-N
XLogP2.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4867883
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 126821301
6-(ethylamino)-N-(1-phenylpropyl)pyridazine-3-carboxamide
CID 62303897
N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392244
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19416921) is N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(NC(=O)c1cc2ncccn2n1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PNRXKGKFAKUSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-13(12-7-4-3-5-8-12)18-16(21)14-11-15-17-9-6-10-20(15)19-14/h3-11,13H,2H2,1H3,(H,18,21).
What are the key properties of N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19416921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).