5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine

C18H25F4N3 — CID 134377754

IUPAC5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine
SMILESCCCC(C)C1=CC(C(F)(F)F)N(C)N1C1=CC=C(NC)CC=C1F
InChIInChI=1S/C18H25F4N3/c1-5-6-12(2)16-11-17(18(20,21)22)24(4)25(16)15-10-8-13(23-3)7-9-14(15)19/h8-12,17,23H,5-7H2,1-4H3
InChIKeyNMBSKATWVOUEMO-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.64
Rot. Bonds5

About 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine

5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine (PubChem CID 134377754) has the molecular formula C18H25F4N3 and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine
PubChem CID134377754
Molecular FormulaC18H25F4N3
Molecular Weight359.41 g/mol
Exact Mass359.20
IUPAC Name5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine
SMILESCCCC(C)C1=CC(C(F)(F)F)N(C)N1C1=CC=C(NC)CC=C1F
InChIInChI=1S/C18H25F4N3/c1-5-6-12(2)16-11-17(18(20,21)22)24(4)25(16)15-10-8-13(23-3)7-9-14(15)19/h8-12,17,23H,5-7H2,1-4H3
InChIKeyNMBSKATWVOUEMO-UHFFFAOYSA-N
XLogP4.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-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 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine (CID 134377754) is 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine is CCCC(C)C1=CC(C(F)(F)F)N(C)N1C1=CC=C(NC)CC=C1F.
What is the InChIKey of 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine?
The InChIKey is NMBSKATWVOUEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F4N3/c1-5-6-12(2)16-11-17(18(20,21)22)24(4)25(16)15-10-8-13(23-3)7-9-14(15)19/h8-12,17,23H,5-7H2,1-4H3.
What are the key properties of 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine?
5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine has a molecular weight of 359.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 134377754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).