N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide

C18H19F3N6O — CID 166261533

IUPACN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide
SMILESCc1c(CN)c(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)nn1C
InChIInChI=1S/C18H19F3N6O/c1-11-14(9-22)16(25-26(11)2)23-17(28)13-5-3-12(4-6-13)10-27-8-7-15(24-27)18(19,20)21/h3-8H,9-10,22H2,1-2H3,(H,23,25,28)
InChIKeyPOMNVPKWRULZDH-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.70
Rot. Bonds5

About N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide

N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide (PubChem CID 166261533) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide
PubChem CID166261533
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC NameN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide
SMILESCc1c(CN)c(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)nn1C
InChIInChI=1S/C18H19F3N6O/c1-11-14(9-22)16(25-26(11)2)23-17(28)13-5-3-12(4-6-13)10-27-8-7-15(24-27)18(19,20)21/h3-8H,9-10,22H2,1-2H3,(H,23,25,28)
InChIKeyPOMNVPKWRULZDH-UHFFFAOYSA-N
XLogP2.70
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 105352183
N'-hydroxy-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 76913324
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine
CID 62441951
N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 62441950
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530737
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166363599
N-(4-acetylphenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide
CID 19496796
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanone
CID 138026382
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide
CID 166243235

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide?
The IUPAC name of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide (CID 166261533) is N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide?
The canonical SMILES for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide is Cc1c(CN)c(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)nn1C.
What is the InChIKey of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide?
The InChIKey is POMNVPKWRULZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-11-14(9-22)16(25-26(11)2)23-17(28)13-5-3-12(4-6-13)10-27-8-7-15(24-27)18(19,20)21/h3-8H,9-10,22H2,1-2H3,(H,23,25,28).
What are the key properties of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide?
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide has a molecular weight of 392.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide is sourced from PubChem (CID 166261533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).