N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide

C12H10ClF3N4O2 — CID 86700649

IUPACN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCOc1cncc(-n2cc(N(C)C(=O)C(F)(F)F)c(Cl)n2)c1
InChIInChI=1S/C12H10ClF3N4O2/c1-19(11(21)12(14,15)16)9-6-20(18-10(9)13)7-3-8(22-2)5-17-4-7/h3-6H,1-2H3
InChIKeySUVGPENMYLWOPF-UHFFFAOYSA-N
MW334.69 g/mol
LogP2.45
Rot. Bonds3

About N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide

N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 86700649) has the molecular formula C12H10ClF3N4O2 and a molecular weight of 334.69 g/mol. Its IUPAC name is N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID86700649
Molecular FormulaC12H10ClF3N4O2
Molecular Weight334.69 g/mol
Exact Mass334.04
IUPAC NameN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCOc1cncc(-n2cc(N(C)C(=O)C(F)(F)F)c(Cl)n2)c1
InChIInChI=1S/C12H10ClF3N4O2/c1-19(11(21)12(14,15)16)9-6-20(18-10(9)13)7-3-8(22-2)5-17-4-7/h3-6H,1-2H3
InChIKeySUVGPENMYLWOPF-UHFFFAOYSA-N
XLogP2.45
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide (CID 86700649) is N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide is COc1cncc(-n2cc(N(C)C(=O)C(F)(F)F)c(Cl)n2)c1.
What is the InChIKey of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is SUVGPENMYLWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O2/c1-19(11(21)12(14,15)16)9-6-20(18-10(9)13)7-3-8(22-2)5-17-4-7/h3-6H,1-2H3.
What are the key properties of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide?
N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 334.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 86700649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).