1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine

C9H14F3N5 — CID 86680081

IUPAC1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCn1ncc(N)c1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N5/c1-16-8(6(13)4-15-16)17-3-2-14-7(5-17)9(10,11)12/h4,7,14H,2-3,5,13H2,1H3
InChIKeyIVLQIHATJPCIGZ-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.34
Rot. Bonds1

About 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine

1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine (PubChem CID 86680081) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine
PubChem CID86680081
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCn1ncc(N)c1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N5/c1-16-8(6(13)4-15-16)17-3-2-14-7(5-17)9(10,11)12/h4,7,14H,2-3,5,13H2,1H3
InChIKeyIVLQIHATJPCIGZ-UHFFFAOYSA-N
XLogP0.34
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-3-nitro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4275264
1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
4-Isocyano-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 57556360
1-(2-Methylpyrazol-3-yl)piperazine
CID 63963094
2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092203
(+/-)-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-3-(trifluoromethyl)piperazine
CID 86680080
tert-butyl (+/-)-4-(4-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-2-methylpiperazine-1-carboxylate
CID 86680104
(4R)-1-(4-amino-1-methylpyrazol-5-yl)-6,6-difluoroazepan-4-amine
CID 89456595
4-[4-Amino-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-2-methylpiperazine-1-carboxylic acid
CID 89456614
1-[4-Amino-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]azepan-3-amine
CID 89456671
1-(4-Amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine
CID 89456702
1-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 89456703

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine?
The IUPAC name of 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine (CID 86680081) is 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine is Cn1ncc(N)c1N1CCNC(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine?
The InChIKey is IVLQIHATJPCIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-16-8(6(13)4-15-16)17-3-2-14-7(5-17)9(10,11)12/h4,7,14H,2-3,5,13H2,1H3.
What are the key properties of 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine?
1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine has a molecular weight of 249.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 86680081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).