(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid

C8H8F4N2O2 — CID 7018497

IUPAC(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C8H8F4N2O2/c1-3(8(15)16)14-5(7(11)12)2-4(13-14)6(9)10/h2-3,6-7H,1H3,(H,15,16)/t3-/m1/s1
InChIKeyNELRRJQUCQJLEC-GSVOUGTGSA-N
MW240.16 g/mol
LogP2.40
Rot. Bonds4

About (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid

(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 7018497) has the molecular formula C8H8F4N2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID7018497
Molecular FormulaC8H8F4N2O2
Molecular Weight240.16 g/mol
Exact Mass240.05
IUPAC Name(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C8H8F4N2O2/c1-3(8(15)16)14-5(7(11)12)2-4(13-14)6(9)10/h2-3,6-7H,1H3,(H,15,16)/t3-/m1/s1
InChIKeyNELRRJQUCQJLEC-GSVOUGTGSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
CID 19532167
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
CID 19532115
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19532090
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 19532382
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanamide
CID 162591461
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19532217
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536294
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536298
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532242
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19532125
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19532389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid (CID 7018497) is (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid is C[C@H](C(=O)O)n1nc(C(F)F)cc1C(F)F.
What is the InChIKey of (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is NELRRJQUCQJLEC-GSVOUGTGSA-N. The full InChI is InChI=1S/C8H8F4N2O2/c1-3(8(15)16)14-5(7(11)12)2-4(13-14)6(9)10/h2-3,6-7H,1H3,(H,15,16)/t3-/m1/s1.
What are the key properties of (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid?
(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 240.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 7018497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).