1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

C14H17F2N3O — CID 105046893

IUPAC1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)cc1F)c1c(OC)cnn1C
InChIInChI=1S/C14H17F2N3O/c1-8-5-9(11(16)6-10(8)15)13(17-2)14-12(20-4)7-18-19(14)3/h5-7,13,17H,1-4H3
InChIKeyKBBPZUZXXFVUSR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.32
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105046893) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105046893
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)cc1F)c1c(OC)cnn1C
InChIInChI=1S/C14H17F2N3O/c1-8-5-9(11(16)6-10(8)15)13(17-2)14-12(20-4)7-18-19(14)3/h5-7,13,17H,1-4H3
InChIKeyKBBPZUZXXFVUSR-UHFFFAOYSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine 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 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 105046893) is 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is CNC(c1cc(C)c(F)cc1F)c1c(OC)cnn1C.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is KBBPZUZXXFVUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-8-5-9(11(16)6-10(8)15)13(17-2)14-12(20-4)7-18-19(14)3/h5-7,13,17H,1-4H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105046893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).