N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide

C8H11F3N4O — CID 151410147

IUPACN-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide
SMILESC[C@H](CNC(=O)C(F)(F)F)c1[nH]ncc1N
InChIInChI=1S/C8H11F3N4O/c1-4(6-5(12)3-14-15-6)2-13-7(16)8(9,10)11/h3-4H,2,12H2,1H3,(H,13,16)(H,14,15)/t4-/m1/s1
InChIKeyOYIMFPMMZUAYKT-SCSAIBSYSA-N
MW236.20 g/mol
LogP0.77
Rot. Bonds3

About N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide

N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide (PubChem CID 151410147) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide
PubChem CID151410147
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide
SMILESC[C@H](CNC(=O)C(F)(F)F)c1[nH]ncc1N
InChIInChI=1S/C8H11F3N4O/c1-4(6-5(12)3-14-15-6)2-13-7(16)8(9,10)11/h3-4H,2,12H2,1H3,(H,13,16)(H,14,15)/t4-/m1/s1
InChIKeyOYIMFPMMZUAYKT-SCSAIBSYSA-N
XLogP0.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide (CID 151410147) is N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide is C[C@H](CNC(=O)C(F)(F)F)c1[nH]ncc1N.
What is the InChIKey of N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide?
The InChIKey is OYIMFPMMZUAYKT-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4(6-5(12)3-14-15-6)2-13-7(16)8(9,10)11/h3-4H,2,12H2,1H3,(H,13,16)(H,14,15)/t4-/m1/s1.
What are the key properties of N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide?
N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide has a molecular weight of 236.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 151410147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).