(2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

C12H10ClF3N4O2 — CID 95136809

IUPAC(2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)n1cc(Cl)cn1
InChIInChI=1S/C12H10ClF3N4O2/c1-6(20-5-8(13)4-18-20)10(21)19-9-2-7(12(14,15)16)3-17-11(9)22/h2-6H,1H3,(H,17,22)(H,19,21)/t6-/m0/s1
InChIKeyYICDKYKEUPSBOR-LURJTMIESA-N
MW334.69 g/mol
LogP2.44
Rot. Bonds3

About (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

(2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (PubChem CID 95136809) has the molecular formula C12H10ClF3N4O2 and a molecular weight of 334.69 g/mol. Its IUPAC name is (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
PubChem CID95136809
Molecular FormulaC12H10ClF3N4O2
Molecular Weight334.69 g/mol
Exact Mass334.04
IUPAC Name(2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)n1cc(Cl)cn1
InChIInChI=1S/C12H10ClF3N4O2/c1-6(20-5-8(13)4-18-20)10(21)19-9-2-7(12(14,15)16)3-17-11(9)22/h2-6H,1H3,(H,17,22)(H,19,21)/t6-/m0/s1
InChIKeyYICDKYKEUPSBOR-LURJTMIESA-N
XLogP2.44
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (CID 95136809) is (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The canonical SMILES for (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is C[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)n1cc(Cl)cn1.
What is the InChIKey of (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The InChIKey is YICDKYKEUPSBOR-LURJTMIESA-N. The full InChI is InChI=1S/C12H10ClF3N4O2/c1-6(20-5-8(13)4-18-20)10(21)19-9-2-7(12(14,15)16)3-17-11(9)22/h2-6H,1H3,(H,17,22)(H,19,21)/t6-/m0/s1.
What are the key properties of (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
(2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide has a molecular weight of 334.69 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloropyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is sourced from PubChem (CID 95136809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).