1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine

C10H16F3N5 — CID 71176960

IUPAC1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
SMILESCN1CCN(c2c(N)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C10H16F3N5/c1-16-3-5-18(6-4-16)9-7(14)8(10(11,12)13)15-17(9)2/h3-6,14H2,1-2H3
InChIKeyHCBAGYPBWKTXIU-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.77
Rot. Bonds1

About 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine

1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 71176960) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID71176960
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
SMILESCN1CCN(c2c(N)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C10H16F3N5/c1-16-3-5-18(6-4-16)9-7(14)8(10(11,12)13)15-17(9)2/h3-6,14H2,1-2H3
InChIKeyHCBAGYPBWKTXIU-UHFFFAOYSA-N
XLogP0.77
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine (CID 71176960) is 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine is CN1CCN(c2c(N)c(C(F)(F)F)nn2C)CC1.
What is the InChIKey of 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is HCBAGYPBWKTXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-16-3-5-18(6-4-16)9-7(14)8(10(11,12)13)15-17(9)2/h3-6,14H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine?
1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 263.27 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 71176960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).