N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide

C21H19F3N4O — CID 59547986

IUPACN-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccn(Cc2ccc(C3CC3)cc2C(F)(F)F)n1
InChIInChI=1S/C21H19F3N4O/c1-13-11-25-8-6-17(13)20(29)26-19-7-9-28(27-19)12-16-5-4-15(14-2-3-14)10-18(16)21(22,23)24/h4-11,14H,2-3,12H2,1H3,(H,26,27,29)
InChIKeyXJNQLKZLSHVUPX-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.78
Rot. Bonds5

About N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide

N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide (PubChem CID 59547986) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
PubChem CID59547986
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC NameN-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccn(Cc2ccc(C3CC3)cc2C(F)(F)F)n1
InChIInChI=1S/C21H19F3N4O/c1-13-11-25-8-6-17(13)20(29)26-19-7-9-28(27-19)12-16-5-4-15(14-2-3-14)10-18(16)21(22,23)24/h4-11,14H,2-3,12H2,1H3,(H,26,27,29)
InChIKeyXJNQLKZLSHVUPX-UHFFFAOYSA-N
XLogP4.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide (CID 59547986) is N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1ccn(Cc2ccc(C3CC3)cc2C(F)(F)F)n1.
What is the InChIKey of N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is XJNQLKZLSHVUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c1-13-11-25-8-6-17(13)20(29)26-19-7-9-28(27-19)12-16-5-4-15(14-2-3-14)10-18(16)21(22,23)24/h4-11,14H,2-3,12H2,1H3,(H,26,27,29).
What are the key properties of N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide?
N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 59547986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).