(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide

C8H12F2N4O — CID 119341236

IUPAC(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C8H12F2N4O/c1-5(11)8(15)12-7-2-3-14(13-7)4-6(9)10/h2-3,5-6H,4,11H2,1H3,(H,12,13,15)/t5-/m0/s1
InChIKeyGBUUHOGSMTYEOW-YFKPBYRVSA-N
MW218.21 g/mol
LogP0.43
Rot. Bonds4

About (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide

(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide (PubChem CID 119341236) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
PubChem CID119341236
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C8H12F2N4O/c1-5(11)8(15)12-7-2-3-14(13-7)4-6(9)10/h2-3,5-6H,4,11H2,1H3,(H,12,13,15)/t5-/m0/s1
InChIKeyGBUUHOGSMTYEOW-YFKPBYRVSA-N
XLogP0.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
CID 119341237
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
CID 71978904
methyl 5-[[1-(2,2-difluoroethyl)pyrazol-3-yl]carbamoyl]pyridine-3-carboxylate
CID 71905723
1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine
CID 115698091
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305939
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 120873325
N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-methylhexanamide
CID 141377139
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide (CID 119341236) is (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide is C[C@H](N)C(=O)Nc1ccn(CC(F)F)n1.
What is the InChIKey of (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide?
The InChIKey is GBUUHOGSMTYEOW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-5(11)8(15)12-7-2-3-14(13-7)4-6(9)10/h2-3,5-6H,4,11H2,1H3,(H,12,13,15)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide?
(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide has a molecular weight of 218.21 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 119341236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).