5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide

C17H13ClN6O — CID 167874176

IUPAC5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide
SMILESN#CC1(NC(=O)c2cc(-c3cnc4c(N)cnn4c3)ccc2Cl)CC1
InChIInChI=1S/C17H13ClN6O/c18-13-2-1-10(5-12(13)16(25)23-17(9-19)3-4-17)11-6-21-15-14(20)7-22-24(15)8-11/h1-2,5-8H,3-4,20H2,(H,23,25)
InChIKeyJJOHEIZQAVWYGT-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.42
Rot. Bonds3

About 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide

5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide (PubChem CID 167874176) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide.

Molecular Properties

Compound Name5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide
PubChem CID167874176
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide
SMILESN#CC1(NC(=O)c2cc(-c3cnc4c(N)cnn4c3)ccc2Cl)CC1
InChIInChI=1S/C17H13ClN6O/c18-13-2-1-10(5-12(13)16(25)23-17(9-19)3-4-17)11-6-21-15-14(20)7-22-24(15)8-11/h1-2,5-8H,3-4,20H2,(H,23,25)
InChIKeyJJOHEIZQAVWYGT-UHFFFAOYSA-N
XLogP2.42
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(1-cyanocyclopropyl)-5-[1-(3,4,5-tribromo-1-methylpyrrol-2-yl)pyrazol-4-yl]benzamide;methyl 2-chloro-5-[1-(3,4,5-tribromo-1-methylpyrrol-2-yl)pyrazol-4-yl]benzoate
CID 157133162
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
5-[1-[C-[(E)-2-amino-1-(difluoromethoxy)-3,3,4,4,4-pentafluorobut-1-enyl]-N-methylcarbonimidoyl]pyrazol-4-yl]-2-chloro-N-(1-cyanocyclopropyl)benzamide
CID 162779403
5-[1-[3-bromo-5-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrrol-2-yl]pyrazol-4-yl]-2-chloro-N-(1-cyanocyclopropyl)benzamide
CID 155410667
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-(1,1,2,2-tetrafluoroethoxy)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129306014
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-[2-(trifluoromethoxy)ethoxy]-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129283575
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-(5,6,6-trifluorohexoxy)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 137419629
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[3-[1,1,2,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-enoxy]-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129283534
6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 115036557
4-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110474001

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide?
The IUPAC name of 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide (CID 167874176) is 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide.
What is the SMILES notation for 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide?
The canonical SMILES for 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide is N#CC1(NC(=O)c2cc(-c3cnc4c(N)cnn4c3)ccc2Cl)CC1.
What is the InChIKey of 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide?
The InChIKey is JJOHEIZQAVWYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c18-13-2-1-10(5-12(13)16(25)23-17(9-19)3-4-17)11-6-21-15-14(20)7-22-24(15)8-11/h1-2,5-8H,3-4,20H2,(H,23,25).
What are the key properties of 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide?
5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide has a molecular weight of 352.79 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide is sourced from PubChem (CID 167874176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).