N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide

C19H17F3N4O — CID 30766061

IUPACN-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cccnc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O/c1-12(25-18(27)14-5-4-8-23-10-14)17-11-24-26(13(17)2)16-7-3-6-15(9-16)19(20,21)22/h3-12H,1-2H3,(H,25,27)/t12-/m1/s1
InChIKeyLIUOGLHSZSXULZ-GFCCVEGCSA-N
MW374.37 g/mol
LogP4.09
Rot. Bonds4

About N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide

N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide (PubChem CID 30766061) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide
PubChem CID30766061
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cccnc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O/c1-12(25-18(27)14-5-4-8-23-10-14)17-11-24-26(13(17)2)16-7-3-6-15(9-16)19(20,21)22/h3-12H,1-2H3,(H,25,27)/t12-/m1/s1
InChIKeyLIUOGLHSZSXULZ-GFCCVEGCSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazine-2-carboxamide
CID 42945226
4-methylsulfonyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]benzamide
CID 42945222
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]cyclopropanecarboxamide
CID 42890550
1,3-dimethyl-N-[(1S)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 39999792
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-3-phenoxypropanamide
CID 47023026
N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
CID 43066568
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]propanamide
CID 43057430
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 42949419
5-methyl-N-(2-pyridin-3-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30768894
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide (CID 30766061) is N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide is Cc1c([C@@H](C)NC(=O)c2cccnc2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is LIUOGLHSZSXULZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12(25-18(27)14-5-4-8-23-10-14)17-11-24-26(13(17)2)16-7-3-6-15(9-16)19(20,21)22/h3-12H,1-2H3,(H,25,27)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide?
N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 30766061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).