N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide

C19H14F6N4O — CID 60591038

IUPACN-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCCc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H14F6N4O/c1-2-14-15(10-3-5-26-6-4-10)28-29-16(14)27-17(30)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h3-9H,2H2,1H3,(H2,27,28,29,30)
InChIKeyPPRHLYFYYKQVDT-UHFFFAOYSA-N
MW428.34 g/mol
LogP5.32
Rot. Bonds4

About N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide

N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 60591038) has the molecular formula C19H14F6N4O and a molecular weight of 428.34 g/mol. Its IUPAC name is N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID60591038
Molecular FormulaC19H14F6N4O
Molecular Weight428.34 g/mol
Exact Mass428.11
IUPAC NameN-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCCc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H14F6N4O/c1-2-14-15(10-3-5-26-6-4-10)28-29-16(14)27-17(30)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h3-9H,2H2,1H3,(H2,27,28,29,30)
InChIKeyPPRHLYFYYKQVDT-UHFFFAOYSA-N
XLogP5.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.34
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 175937897
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
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N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
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N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
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N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
CID 3526595
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 30677618
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CID 3307748
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] pyridine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide (CID 60591038) is N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide is CCc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]c1-c1ccncc1.
What is the InChIKey of N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is PPRHLYFYYKQVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O/c1-2-14-15(10-3-5-26-6-4-10)28-29-16(14)27-17(30)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h3-9H,2H2,1H3,(H2,27,28,29,30).
What are the key properties of N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 428.34 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 60591038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).