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

C18H12F6N4O2 — CID 44588987

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1ccncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F6N4O2/c1-30-13-6-7-25-9-12(13)16(29)26-10-2-4-11(5-3-10)28-15(18(22,23)24)8-14(27-28)17(19,20)21/h2-9H,1H3,(H,26,29)
InChIKeyCVRUIJHJCDBILQ-UHFFFAOYSA-N
MW430.31 g/mol
LogP4.57
Rot. Bonds4

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

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide (PubChem CID 44588987) 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]-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
PubChem CID44588987
Molecular FormulaC18H12F6N4O2
Molecular Weight430.31 g/mol
Exact Mass430.09
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1ccncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F6N4O2/c1-30-13-6-7-25-9-12(13)16(29)26-10-2-4-11(5-3-10)28-15(18(22,23)24)8-14(27-28)17(19,20)21/h2-9H,1H3,(H,26,29)
InChIKeyCVRUIJHJCDBILQ-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

4,6-Dimethyl-4'-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]nicotinanilide
CID 9888801
NFAT Transcription Factor Regulator
CID 9931706
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10222604
N-[4-[3-(Trifluoromethyl)-5-methoxy-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10619742
US11180484, Example 6
CID 139301871
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-fluoropyridine-3-carboxamide
CID 9888251
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide
CID 44588962
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44588986
4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 44588988
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 44589011
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide
CID 44589013
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-6-methylpyridine-3-carboxamide
CID 44589039

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide (CID 44588987) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide is COc1ccncc1C(=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]-4-methoxypyridine-3-carboxamide?
The InChIKey is CVRUIJHJCDBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4O2/c1-30-13-6-7-25-9-12(13)16(29)26-10-2-4-11(5-3-10)28-15(18(22,23)24)8-14(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]-4-methoxypyridine-3-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-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]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 44588987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).