N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C19H21F3N4O — CID 119458219

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O/c1-11-17(18(27)25-15-8-13-5-6-14(9-15)24-13)10-23-26(11)16-4-2-3-12(7-16)19(20,21)22/h2-4,7,10,13-15,24H,5-6,8-9H2,1H3,(H,25,27)
InChIKeyASAPXTQMFPPRAK-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.21
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 119458219) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID119458219
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O/c1-11-17(18(27)25-15-8-13-5-6-14(9-15)24-13)10-23-26(11)16-4-2-3-12(7-16)19(20,21)22/h2-4,7,10,13-15,24H,5-6,8-9H2,1H3,(H,25,27)
InChIKeyASAPXTQMFPPRAK-UHFFFAOYSA-N
XLogP3.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119457050
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46553202
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55716702
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
5-cyclopropyl-N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119385987
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624
N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46565770

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 119458219) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ASAPXTQMFPPRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-11-17(18(27)25-15-8-13-5-6-14(9-15)24-13)10-23-26(11)16-4-2-3-12(7-16)19(20,21)22/h2-4,7,10,13-15,24H,5-6,8-9H2,1H3,(H,25,27).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119458219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).