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

C13H21F3N4 — CID 66028837

IUPAC3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N4/c1-3-6-20-12(11(17)9(2)18-20)19-7-4-10(5-8-19)13(14,15)16/h10H,3-8,17H2,1-2H3
InChIKeyJMNHLPMOZYPAOF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.96
Rot. Bonds3

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

3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (PubChem CID 66028837) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
PubChem CID66028837
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N4/c1-3-6-20-12(11(17)9(2)18-20)19-7-4-10(5-8-19)13(14,15)16/h10H,3-8,17H2,1-2H3
InChIKeyJMNHLPMOZYPAOF-UHFFFAOYSA-N
XLogP2.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (CID 66028837) is 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is CCCn1nc(C)c(N)c1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The InChIKey is JMNHLPMOZYPAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-3-6-20-12(11(17)9(2)18-20)19-7-4-10(5-8-19)13(14,15)16/h10H,3-8,17H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine has a molecular weight of 290.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66028837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).