N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine

C10H16F3N3 — CID 56996826

IUPACN,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCc1cc(N(C)C)n(CC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-4-5-8-6-9(15(2)3)16(14-8)7-10(11,12)13/h6H,4-5,7H2,1-3H3
InChIKeyDOYNXPNCATWERG-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.46
Rot. Bonds4

About N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine

N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 56996826) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID56996826
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCc1cc(N(C)C)n(CC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-4-5-8-6-9(15(2)3)16(14-8)7-10(11,12)13/h6H,4-5,7H2,1-3H3
InChIKeyDOYNXPNCATWERG-UHFFFAOYSA-N
XLogP2.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-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 N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 56996826) is N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCCc1cc(N(C)C)n(CC(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is DOYNXPNCATWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-4-5-8-6-9(15(2)3)16(14-8)7-10(11,12)13/h6H,4-5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 235.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 56996826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).