N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane

C14H16ClF3N4O2 — CID 157386464

IUPACN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane
SMILESC.COc1cncc(-n2cc(NC(=O)CCC(F)(F)F)c(Cl)n2)c1
InChIInChI=1S/C13H12ClF3N4O2.CH4/c1-23-9-4-8(5-18-6-9)21-7-10(12(14)20-21)19-11(22)2-3-13(15,16)17;/h4-7H,2-3H2,1H3,(H,19,22);1H4
InChIKeyBLMKWKYASGCSKU-UHFFFAOYSA-N
MW364.76 g/mol
LogP3.85
Rot. Bonds5

About N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane

N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane (PubChem CID 157386464) has the molecular formula C14H16ClF3N4O2 and a molecular weight of 364.76 g/mol. Its IUPAC name is N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane.

Molecular Properties

Compound NameN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane
PubChem CID157386464
Molecular FormulaC14H16ClF3N4O2
Molecular Weight364.76 g/mol
Exact Mass364.09
IUPAC NameN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane
SMILESC.COc1cncc(-n2cc(NC(=O)CCC(F)(F)F)c(Cl)n2)c1
InChIInChI=1S/C13H12ClF3N4O2.CH4/c1-23-9-4-8(5-18-6-9)21-7-10(12(14)20-21)19-11(22)2-3-13(15,16)17;/h4-7H,2-3H2,1H3,(H,19,22);1H4
InChIKeyBLMKWKYASGCSKU-UHFFFAOYSA-N
XLogP3.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
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]-4,4,4-trifluorobutanamide;methane?
The IUPAC name of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane (CID 157386464) is N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane.
What is the SMILES notation for N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane?
The canonical SMILES for N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane is C.COc1cncc(-n2cc(NC(=O)CCC(F)(F)F)c(Cl)n2)c1.
What is the InChIKey of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane?
The InChIKey is BLMKWKYASGCSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O2.CH4/c1-23-9-4-8(5-18-6-9)21-7-10(12(14)20-21)19-11(22)2-3-13(15,16)17;/h4-7H,2-3H2,1H3,(H,19,22);1H4.
What are the key properties of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane?
N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide;methane has a molecular weight of 364.76 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 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]-4,4,4-trifluorobutanamide;methane is sourced from PubChem (CID 157386464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).