(5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol

C19H26FN3O — CID 163837773

IUPAC(5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol
SMILESCc1nn(C)c(F)c1C(O)N=c1cccccc1C(C)CC(C)C
InChIInChI=1S/C19H26FN3O/c1-12(2)11-13(3)15-9-7-6-8-10-16(15)21-19(24)17-14(4)22-23(5)18(17)20/h6-10,12-13,19,24H,11H2,1-5H3
InChIKeyOJHKQBVIHFIRNC-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.61
Rot. Bonds5

About (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol

(5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol (PubChem CID 163837773) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol.

Molecular Properties

Compound Name(5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol
PubChem CID163837773
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name(5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol
SMILESCc1nn(C)c(F)c1C(O)N=c1cccccc1C(C)CC(C)C
InChIInChI=1S/C19H26FN3O/c1-12(2)11-13(3)15-9-7-6-8-10-16(15)21-19(24)17-14(4)22-23(5)18(17)20/h6-10,12-13,19,24H,11H2,1-5H3
InChIKeyOJHKQBVIHFIRNC-UHFFFAOYSA-N
XLogP3.61
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol 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-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol?
The IUPAC name of (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol (CID 163837773) is (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol.
What is the SMILES notation for (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol?
The canonical SMILES for (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol is Cc1nn(C)c(F)c1C(O)N=c1cccccc1C(C)CC(C)C.
What is the InChIKey of (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol?
The InChIKey is OJHKQBVIHFIRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-12(2)11-13(3)15-9-7-6-8-10-16(15)21-19(24)17-14(4)22-23(5)18(17)20/h6-10,12-13,19,24H,11H2,1-5H3.
What are the key properties of (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol?
(5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol has a molecular weight of 331.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1,3-dimethylpyrazol-4-yl)-[[2-(4-methylpentan-2-yl)cyclohepta-2,4,6-trien-1-ylidene]amino]methanol is sourced from PubChem (CID 163837773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).