(2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide

C7H9F3N4O — CID 97341571

IUPAC(2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H9F3N4O/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10/h2-3H,11H2,1H3,(H2,12,13,14,15)/t3-/m0/s1
InChIKeyOAGUFEGPGQTLPR-VKHMYHEASA-N
MW222.17 g/mol
LogP0.71
Rot. Bonds2

About (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide

(2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide (PubChem CID 97341571) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide
PubChem CID97341571
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name(2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H9F3N4O/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10/h2-3H,11H2,1H3,(H2,12,13,14,15)/t3-/m0/s1
InChIKeyOAGUFEGPGQTLPR-VKHMYHEASA-N
XLogP0.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide (CID 97341571) is (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide is C[C@H](N)C(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is OAGUFEGPGQTLPR-VKHMYHEASA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10/h2-3H,11H2,1H3,(H2,12,13,14,15)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide?
(2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 222.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 97341571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).