2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide

C14H14BrN3O — CID 119101471

IUPAC2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
SMILESO=C(NC1CCn2nccc2C1)c1ccccc1Br
InChIInChI=1S/C14H14BrN3O/c15-13-4-2-1-3-12(13)14(19)17-10-6-8-18-11(9-10)5-7-16-18/h1-5,7,10H,6,8-9H2,(H,17,19)
InChIKeySAMJVNGBRKKTIG-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.39
Rot. Bonds2

About 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide

2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide (PubChem CID 119101471) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
PubChem CID119101471
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
SMILESO=C(NC1CCn2nccc2C1)c1ccccc1Br
InChIInChI=1S/C14H14BrN3O/c15-13-4-2-1-3-12(13)14(19)17-10-6-8-18-11(9-10)5-7-16-18/h1-5,7,10H,6,8-9H2,(H,17,19)
InChIKeySAMJVNGBRKKTIG-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
CID 124760369
methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate
CID 124725421
2-phenyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-4-carboxamide
CID 124759639
2-cyclopropyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 124892890
2-pyrazol-1-yl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 129355323
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 121018766
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124891885
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124892973
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide (CID 119101471) is 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide is O=C(NC1CCn2nccc2C1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide?
The InChIKey is SAMJVNGBRKKTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-13-4-2-1-3-12(13)14(19)17-10-6-8-18-11(9-10)5-7-16-18/h1-5,7,10H,6,8-9H2,(H,17,19).
What are the key properties of 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide?
2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide is sourced from PubChem (CID 119101471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).