5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

C10H16F3N5 — CID 141363094

IUPAC5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCC1CN(c2c(N)cnn2CC(F)(F)F)CCN1
InChIInChI=1S/C10H16F3N5/c1-7-5-17(3-2-15-7)9-8(14)4-16-18(9)6-10(11,12)13/h4,7,15H,2-3,5-6,14H2,1H3
InChIKeyMPFHNGWJZDGJGW-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.83
Rot. Bonds2

About 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 141363094) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID141363094
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCC1CN(c2c(N)cnn2CC(F)(F)F)CCN1
InChIInChI=1S/C10H16F3N5/c1-7-5-17(3-2-15-7)9-8(14)4-16-18(9)6-10(11,12)13/h4,7,15H,2-3,5-6,14H2,1H3
InChIKeyMPFHNGWJZDGJGW-UHFFFAOYSA-N
XLogP0.83
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
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
2-[4-Amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol
CID 70802058
(+/-)-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-3-(trifluoromethyl)piperazine
CID 86680080
(+/-)-1-methyl-5-(3-(trifluoromethyl)piperazin-1-yl)-1H-pyrazol-4-amine
CID 86680081
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 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 141363094) is 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is CC1CN(c2c(N)cnn2CC(F)(F)F)CCN1.
What is the InChIKey of 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is MPFHNGWJZDGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-7-5-17(3-2-15-7)9-8(14)4-16-18(9)6-10(11,12)13/h4,7,15H,2-3,5-6,14H2,1H3.
What are the key properties of 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 263.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 141363094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).