1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine

C13H15F2N3O2 — CID 61284096

IUPAC1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2ccn[nH]2)c1OC(F)F
InChIInChI=1S/C13H15F2N3O2/c1-19-11-4-2-3-9(12(11)20-13(14)15)7-16-8-10-5-6-17-18-10/h2-6,13,16H,7-8H2,1H3,(H,17,18)
InChIKeyBWDPHJSLZNGTNJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.31
Rot. Bonds7

About 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine

1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 61284096) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID61284096
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2ccn[nH]2)c1OC(F)F
InChIInChI=1S/C13H15F2N3O2/c1-19-11-4-2-3-9(12(11)20-13(14)15)7-16-8-10-5-6-17-18-10/h2-6,13,16H,7-8H2,1H3,(H,17,18)
InChIKeyBWDPHJSLZNGTNJ-UHFFFAOYSA-N
XLogP2.31
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine 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-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 61284096) is 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine is COc1cccc(CNCc2ccn[nH]2)c1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is BWDPHJSLZNGTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-19-11-4-2-3-9(12(11)20-13(14)15)7-16-8-10-5-6-17-18-10/h2-6,13,16H,7-8H2,1H3,(H,17,18).
What are the key properties of 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 283.28 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 61284096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).