N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide

C16H13N7O — CID 119074936

IUPACN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCc1cnn2cccnc12)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C16H13N7O/c24-16(12-4-1-3-11(7-12)14-19-10-20-22-14)18-8-13-9-21-23-6-2-5-17-15(13)23/h1-7,9-10H,8H2,(H,18,24)(H,19,20,22)
InChIKeyWYACRZNHBPGTIA-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.44
Rot. Bonds4

About N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide

N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 119074936) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID119074936
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCc1cnn2cccnc12)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C16H13N7O/c24-16(12-4-1-3-11(7-12)14-19-10-20-22-14)18-8-13-9-21-23-6-2-5-17-15(13)23/h1-7,9-10H,8H2,(H,18,24)(H,19,20,22)
InChIKeyWYACRZNHBPGTIA-UHFFFAOYSA-N
XLogP1.44
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119067217
N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166326947
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 75438077
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
CID 90651357
4-(3,5-dimethylpyrazol-1-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)benzamide
CID 70706606
2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide
CID 72860863
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90648596
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]benzamide
CID 146132046
5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 70774352
2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77094277
N-[(2S)-2-anilinopropyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97332300
N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166192461

Frequently Asked Questions

What is the IUPAC name of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide (CID 119074936) is N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NCc1cnn2cccnc12)c1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is WYACRZNHBPGTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c24-16(12-4-1-3-11(7-12)14-19-10-20-22-14)18-8-13-9-21-23-6-2-5-17-15(13)23/h1-7,9-10H,8H2,(H,18,24)(H,19,20,22).
What are the key properties of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide?
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 319.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 119074936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).