N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C20H25FN4O — CID 119457171

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O/c1-12(2)19-18(11-22-25(19)17-7-3-13(21)4-8-17)20(26)24-16-9-14-5-6-15(10-16)23-14/h3-4,7-8,11-12,14-16,23H,5-6,9-10H2,1-2H3,(H,24,26)
InChIKeyKGZMDEQZFPIHBJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.15
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 119457171) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID119457171
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O/c1-12(2)19-18(11-22-25(19)17-7-3-13(21)4-8-17)20(26)24-16-9-14-5-6-15(10-16)23-14/h3-4,7-8,11-12,14-16,23H,5-6,9-10H2,1-2H3,(H,24,26)
InChIKeyKGZMDEQZFPIHBJ-UHFFFAOYSA-N
XLogP3.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46454828
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119457050
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119602714
cis-(1S,3R)-3-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676356
N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119590449
4-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229971
N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005322
1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56556091
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
N-(3-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119998270

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 119457171) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KGZMDEQZFPIHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-12(2)19-18(11-22-25(19)17-7-3-13(21)4-8-17)20(26)24-16-9-14-5-6-15(10-16)23-14/h3-4,7-8,11-12,14-16,23H,5-6,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.15, 4 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)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119457171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).