N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide

C19H19N5O — CID 136506173

IUPACN-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccccc3)nn3c2NCCC3)ccn1
InChIInChI=1S/C19H19N5O/c1-13(25)22-16-12-15(8-10-20-16)17-18(14-6-3-2-4-7-14)23-24-11-5-9-21-19(17)24/h2-4,6-8,10,12,21H,5,9,11H2,1H3,(H,20,22,25)
InChIKeyPKNRCKMCPIIMJU-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.39
Rot. Bonds3

About N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide

N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide (PubChem CID 136506173) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide
PubChem CID136506173
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccccc3)nn3c2NCCC3)ccn1
InChIInChI=1S/C19H19N5O/c1-13(25)22-16-12-15(8-10-20-16)17-18(14-6-3-2-4-7-14)23-24-11-5-9-21-19(17)24/h2-4,6-8,10,12,21H,5,9,11H2,1H3,(H,20,22,25)
InChIKeyPKNRCKMCPIIMJU-UHFFFAOYSA-N
XLogP3.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]acetamide
CID 167130345
N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide
CID 135220632
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-2-methylbutanamide
CID 129017983
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 129017972
N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide
CID 167130311
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide
CID 135220743
1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione
CID 135554945
N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide
CID 135220713
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
CID 137313999
2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide (CID 136506173) is N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2c(-c3ccccc3)nn3c2NCCC3)ccn1.
What is the InChIKey of N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide?
The InChIKey is PKNRCKMCPIIMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13(25)22-16-12-15(8-10-20-16)17-18(14-6-3-2-4-7-14)23-24-11-5-9-21-19(17)24/h2-4,6-8,10,12,21H,5,9,11H2,1H3,(H,20,22,25).
What are the key properties of N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide?
N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide has a molecular weight of 333.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 136506173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).