N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C20H11F6N5O — CID 43046993

IUPACN-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C20H11F6N5O/c21-19(22,23)12-5-6-16(28-8-12)31-17(20(24,25)26)14(10-29-31)18(32)30-13-7-11-3-1-2-4-15(11)27-9-13/h1-10H,(H,30,32)
InChIKeyBPKZEAOVYLBFID-UHFFFAOYSA-N
MW451.33 g/mol
LogP5.11
Rot. Bonds3

About N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 43046993) has the molecular formula C20H11F6N5O and a molecular weight of 451.33 g/mol. Its IUPAC name is N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID43046993
Molecular FormulaC20H11F6N5O
Molecular Weight451.33 g/mol
Exact Mass451.09
IUPAC NameN-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C20H11F6N5O/c21-19(22,23)12-5-6-16(28-8-12)31-17(20(24,25)26)14(10-29-31)18(32)30-13-7-11-3-1-2-4-15(11)27-9-13/h1-10H,(H,30,32)
InChIKeyBPKZEAOVYLBFID-UHFFFAOYSA-N
XLogP5.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-4-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39953963
N-(3-carbamoylphenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25332191
N-(3-cyanophenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 18267072
N-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 18288195
N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25481374
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 24666202
5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43049857
N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39038518
N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31972467
N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide
CID 35066330
N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46430085

Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 43046993) is N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1cnc2ccccc2c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F.
What is the InChIKey of N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is BPKZEAOVYLBFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N5O/c21-19(22,23)12-5-6-16(28-8-12)31-17(20(24,25)26)14(10-29-31)18(32)30-13-7-11-3-1-2-4-15(11)27-9-13/h1-10H,(H,30,32).
What are the key properties of N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 451.33 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43046993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).