4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide

C11H16F2N4O2 — CID 132586720

IUPAC4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
SMILESNc1cnn(CC(F)F)c1C(=O)NCC1CCCO1
InChIInChI=1S/C11H16F2N4O2/c12-9(13)6-17-10(8(14)5-16-17)11(18)15-4-7-2-1-3-19-7/h5,7,9H,1-4,6,14H2,(H,15,18)
InChIKeyCMWUQQDSKUIONR-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.64
Rot. Bonds5

About 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide

4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 132586720) has the molecular formula C11H16F2N4O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID132586720
Molecular FormulaC11H16F2N4O2
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
SMILESNc1cnn(CC(F)F)c1C(=O)NCC1CCCO1
InChIInChI=1S/C11H16F2N4O2/c12-9(13)6-17-10(8(14)5-16-17)11(18)15-4-7-2-1-3-19-7/h5,7,9H,1-4,6,14H2,(H,15,18)
InChIKeyCMWUQQDSKUIONR-UHFFFAOYSA-N
XLogP0.64
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 19476591
4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 4167409
4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 132586585
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-amino-1-ethylpyrazole-5-carboxamide
CID 79079438
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide (CID 132586720) is 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide is Nc1cnn(CC(F)F)c1C(=O)NCC1CCCO1.
What is the InChIKey of 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is CMWUQQDSKUIONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O2/c12-9(13)6-17-10(8(14)5-16-17)11(18)15-4-7-2-1-3-19-7/h5,7,9H,1-4,6,14H2,(H,15,18).
What are the key properties of 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 274.27 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 132586720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).