N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide

C16H9ClF4N4O — CID 10715078

IUPACN-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1)c1ccncc1F
InChIInChI=1S/C16H9ClF4N4O/c17-14-7-13(16(19,20)21)24-25(14)10-3-1-9(2-4-10)23-15(26)11-5-6-22-8-12(11)18/h1-8H,(H,23,26)
InChIKeyVDSUIIKXKKAURC-UHFFFAOYSA-N
MW384.72 g/mol
LogP4.33
Rot. Bonds3

About N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide

N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 10715078) has the molecular formula C16H9ClF4N4O and a molecular weight of 384.72 g/mol. Its IUPAC name is N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID10715078
Molecular FormulaC16H9ClF4N4O
Molecular Weight384.72 g/mol
Exact Mass384.04
IUPAC NameN-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1)c1ccncc1F
InChIInChI=1S/C16H9ClF4N4O/c17-14-7-13(16(19,20)21)24-25(14)10-3-1-9(2-4-10)23-15(26)11-5-6-22-8-12(11)18/h1-8H,(H,23,26)
InChIKeyVDSUIIKXKKAURC-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.72
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide (CID 10715078) is N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1)c1ccncc1F.
What is the InChIKey of N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is VDSUIIKXKKAURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF4N4O/c17-14-7-13(16(19,20)21)24-25(14)10-3-1-9(2-4-10)23-15(26)11-5-6-22-8-12(11)18/h1-8H,(H,23,26).
What are the key properties of N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 384.72 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 10715078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).