(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide

C11H16F2N4O2 — CID 120795924

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccn(CC(F)F)n2)O1
InChIInChI=1S/C11H16F2N4O2/c12-9(13)6-17-4-3-10(16-17)15-11(18)8-2-1-7(5-14)19-8/h3-4,7-9H,1-2,5-6,14H2,(H,15,16,18)/t7-,8+/m1/s1
InChIKeyYYYUNYACDQXODU-SFYZADRCSA-N
MW274.27 g/mol
LogP0.59
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 120795924) has the molecular formula C11H16F2N4O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
PubChem CID120795924
Molecular FormulaC11H16F2N4O2
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccn(CC(F)F)n2)O1
InChIInChI=1S/C11H16F2N4O2/c12-9(13)6-17-4-3-10(16-17)15-11(18)8-2-1-7(5-14)19-8/h3-4,7-9H,1-2,5-6,14H2,(H,15,16,18)/t7-,8+/m1/s1
InChIKeyYYYUNYACDQXODU-SFYZADRCSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-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

(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
CID 39965405
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
CID 94181328
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
3,3-Difluoro-5-[[(1-methylpyrazol-3-yl)amino]methyl]oxolan-2-one
CID 106492738
5-[[(1-Ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 114252054
3,3-Difluoro-5-[[(1-propan-2-ylpyrazol-3-yl)amino]methyl]oxolan-2-one
CID 114252100
2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
CID 126793619
N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 126834940
(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 126837045
2-(3-hydroxy-2-oxoazepan-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
CID 137882542
2-hydroxy-N-(1-methylpyrazol-3-yl)hexanamide
CID 123424591
N-(2-cyclohexylpyrazol-3-yl)oxolane-2-carboxamide
CID 17390512

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide (CID 120795924) is (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccn(CC(F)F)n2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is YYYUNYACDQXODU-SFYZADRCSA-N. The full InChI is InChI=1S/C11H16F2N4O2/c12-9(13)6-17-4-3-10(16-17)15-11(18)8-2-1-7(5-14)19-8/h3-4,7-9H,1-2,5-6,14H2,(H,15,16,18)/t7-,8+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 274.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120795924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).