[1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid

C9H12F2N4O2 — CID 134278545

IUPAC[1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid
SMILESO=C(O)NC1CCNc2cnn(CC(F)F)c21
InChIInChI=1S/C9H12F2N4O2/c10-7(11)4-15-8-5(14-9(16)17)1-2-12-6(8)3-13-15/h3,5,7,12,14H,1-2,4H2,(H,16,17)
InChIKeyMXKANOXEHGMLQL-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.27
Rot. Bonds3

About [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid

[1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid (PubChem CID 134278545) has the molecular formula C9H12F2N4O2 and a molecular weight of 246.22 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid
PubChem CID134278545
Molecular FormulaC9H12F2N4O2
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Name[1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid
SMILESO=C(O)NC1CCNc2cnn(CC(F)F)c21
InChIInChI=1S/C9H12F2N4O2/c10-7(11)4-15-8-5(14-9(16)17)1-2-12-6(8)3-13-15/h3,5,7,12,14H,1-2,4H2,(H,16,17)
InChIKeyMXKANOXEHGMLQL-UHFFFAOYSA-N
XLogP1.27
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]carbamic acid
CID 122516559
tert-butyl N-[1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-7-yl]carbamate
CID 140878246
5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-amine
CID 155456896
Trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
CID 155644253
[(1S)-1-[2-(difluoromethyl)pyrazol-3-yl]ethyl]carbamic acid
CID 172787933
4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
CID 175860299
1-Methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;hydrochloride
CID 138987689
1-methyl-5-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine
CID 138987690
Tert-butyl N-[1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-6-yl]carbamate
CID 145867135
5-(difluoromethyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine
CID 145874474
1-methyl-5-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridin-6-amine
CID 165904879
2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylic acid
CID 90040560

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid?
The IUPAC name of [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid (CID 134278545) is [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid.
What is the SMILES notation for [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid?
The canonical SMILES for [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid is O=C(O)NC1CCNc2cnn(CC(F)F)c21.
What is the InChIKey of [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid?
The InChIKey is MXKANOXEHGMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2/c10-7(11)4-15-8-5(14-9(16)17)1-2-12-6(8)3-13-15/h3,5,7,12,14H,1-2,4H2,(H,16,17).
What are the key properties of [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid?
[1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid has a molecular weight of 246.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]carbamic acid is sourced from PubChem (CID 134278545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).