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

C18H12F6N4O — CID 44589013

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1
InChIInChI=1S/C18H12F6N4O/c1-10-6-11(9-25-8-10)16(29)26-12-2-4-13(5-3-12)28-15(18(22,23)24)7-14(27-28)17(19,20)21/h2-9H,1H3,(H,26,29)
InChIKeyJNFNSGWGHPKSEY-UHFFFAOYSA-N
MW414.31 g/mol
LogP4.87
Rot. Bonds3

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

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 44589013) has the molecular formula C18H12F6N4O and a molecular weight of 414.31 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID44589013
Molecular FormulaC18H12F6N4O
Molecular Weight414.31 g/mol
Exact Mass414.09
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1
InChIInChI=1S/C18H12F6N4O/c1-10-6-11(9-25-8-10)16(29)26-12-2-4-13(5-3-12)28-15(18(22,23)24)7-14(27-28)17(19,20)21/h2-9H,1H3,(H,26,29)
InChIKeyJNFNSGWGHPKSEY-UHFFFAOYSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide (CID 44589013) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is JNFNSGWGHPKSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4O/c1-10-6-11(9-25-8-10)16(29)26-12-2-4-13(5-3-12)28-15(18(22,23)24)7-14(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]-5-methylpyridine-3-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 44589013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).