5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide

C12H12ClN5O — CID 137255597

IUPAC5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnn2c1NCCC2)c1cncc(Cl)c1
InChIInChI=1S/C12H12ClN5O/c13-9-4-8(5-14-6-9)12(19)17-10-7-16-18-3-1-2-15-11(10)18/h4-7,15H,1-3H2,(H,17,19)
InChIKeyLPHNRRDOTQQPFX-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.00
Rot. Bonds2

About 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide

5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide (PubChem CID 137255597) has the molecular formula C12H12ClN5O and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
PubChem CID137255597
Molecular FormulaC12H12ClN5O
Molecular Weight277.71 g/mol
Exact Mass277.07
IUPAC Name5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnn2c1NCCC2)c1cncc(Cl)c1
InChIInChI=1S/C12H12ClN5O/c13-9-4-8(5-14-6-9)12(19)17-10-7-16-18-3-1-2-15-11(10)18/h4-7,15H,1-3H2,(H,17,19)
InChIKeyLPHNRRDOTQQPFX-UHFFFAOYSA-N
XLogP2.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide
CID 137253333
4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 137253253
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2-oxazole-3-carboxamide
CID 137255522
1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide
CID 137253316
2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 137255592
5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 156586902
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
CID 137313999
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide
CID 137255613
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide
CID 58195503
5-chloro-N-hydroxypyridine-3-carboxamide
CID 130672064
1-(6-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166313179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide (CID 137255597) is 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide is O=C(Nc1cnn2c1NCCC2)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide?
The InChIKey is LPHNRRDOTQQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c13-9-4-8(5-14-6-9)12(19)17-10-7-16-18-3-1-2-15-11(10)18/h4-7,15H,1-3H2,(H,17,19).
What are the key properties of 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide?
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 137255597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).