N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide

C18H12F6N4O2 — CID 44589011

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F6N4O2/c1-30-16-12(3-2-8-25-16)15(29)26-10-4-6-11(7-5-10)28-14(18(22,23)24)9-13(27-28)17(19,20)21/h2-9H,1H3,(H,26,29)
InChIKeyJDUPVFPYVNESDT-UHFFFAOYSA-N
MW430.31 g/mol
LogP4.57
Rot. Bonds4

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 44589011) has the molecular formula C18H12F6N4O2 and a molecular weight of 430.31 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID44589011
Molecular FormulaC18H12F6N4O2
Molecular Weight430.31 g/mol
Exact Mass430.09
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F6N4O2/c1-30-16-12(3-2-8-25-16)15(29)26-10-4-6-11(7-5-10)28-14(18(22,23)24)9-13(27-28)17(19,20)21/h2-9H,1H3,(H,26,29)
InChIKeyJDUPVFPYVNESDT-UHFFFAOYSA-N
XLogP4.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
CID 10202049
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2,4,5-trifluorobenzamide
CID 54061295
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4,5-trifluorobenzamide
CID 54472602
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide
CID 10184105
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide
CID 54127536
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 44588938
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2,4-dichloro-3,5-dinitrobenzamide
CID 57436880

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide (CID 44589011) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is JDUPVFPYVNESDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4O2/c1-30-16-12(3-2-8-25-16)15(29)26-10-4-6-11(7-5-10)28-14(18(22,23)24)9-13(27-28)17(19,20)21/h2-9H,1H3,(H,26,29).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 430.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 44589011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).