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

C11H12F2N6O — CID 137253316

IUPAC1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1cnn2c1NCCC2)c1ccn(C(F)F)n1
InChIInChI=1S/C11H12F2N6O/c12-11(13)19-5-2-7(17-19)10(20)16-8-6-15-18-4-1-3-14-9(8)18/h2,5-6,11,14H,1,3-4H2,(H,16,20)
InChIKeyISUHAOZVGVHIFX-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.54
Rot. Bonds3

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

1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide (PubChem CID 137253316) has the molecular formula C11H12F2N6O and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide
PubChem CID137253316
Molecular FormulaC11H12F2N6O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1cnn2c1NCCC2)c1ccn(C(F)F)n1
InChIInChI=1S/C11H12F2N6O/c12-11(13)19-5-2-7(17-19)10(20)16-8-6-15-18-4-1-3-14-9(8)18/h2,5-6,11,14H,1,3-4H2,(H,16,20)
InChIKeyISUHAOZVGVHIFX-UHFFFAOYSA-N
XLogP1.54
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 165445223
2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide
CID 137253333
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 137255532
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2-oxazole-3-carboxamide
CID 137255522
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
CID 137255597
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
N-(4-chloro-3-fluorophenyl)-N'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)oxamide
CID 135923235
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 137253325
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
CID 137313999
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 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide (CID 137253316) is 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide is O=C(Nc1cnn2c1NCCC2)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is ISUHAOZVGVHIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N6O/c12-11(13)19-5-2-7(17-19)10(20)16-8-6-15-18-4-1-3-14-9(8)18/h2,5-6,11,14H,1,3-4H2,(H,16,20).
What are the key properties of 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 137253316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).