N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C21H24F3N5O — CID 59579870

IUPACN-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNc1cccnc1-n1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)n1
InChIInChI=1S/C21H24F3N5O/c22-21(23,24)17-15(10-29(28-17)18-16(25)2-1-3-26-18)19(30)27-11-20-7-12-4-13(8-20)6-14(5-12)9-20/h1-3,10,12-14H,4-9,11,25H2,(H,27,30)
InChIKeySULATALIJVPMFH-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.81
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 59579870) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID59579870
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC NameN-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNc1cccnc1-n1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)n1
InChIInChI=1S/C21H24F3N5O/c22-21(23,24)17-15(10-29(28-17)18-16(25)2-1-3-26-18)19(30)27-11-20-7-12-4-13(8-20)6-14(5-12)9-20/h1-3,10,12-14H,4-9,11,25H2,(H,27,30)
InChIKeySULATALIJVPMFH-UHFFFAOYSA-N
XLogP3.81
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
CID 59579828
N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide
CID 25225402
N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
CID 20670051
N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide
CID 20670047
N-(1-adamantylmethyl)-2-(2-aminoethylsulfanyl)pyridine-3-carboxamide
CID 20670020
2-methyl-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)pyridine-3-carboxamide
CID 145490475
1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 141466672
N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 25225615
N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide
CID 59451925
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid
CID 11548178
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 59579870) is N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is Nc1cccnc1-n1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)n1.
What is the InChIKey of N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SULATALIJVPMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O/c22-21(23,24)17-15(10-29(28-17)18-16(25)2-1-3-26-18)19(30)27-11-20-7-12-4-13(8-20)6-14(5-12)9-20/h1-3,10,12-14H,4-9,11,25H2,(H,27,30).
What are the key properties of N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59579870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).