N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine

C14H17F2N3O — CID 115858860

IUPACN-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC(F)F)c1ccnn1C
InChIInChI=1S/C14H17F2N3O/c1-3-17-13(11-8-9-18-19(11)2)10-6-4-5-7-12(10)20-14(15)16/h4-9,13-14,17H,3H2,1-2H3
InChIKeySXHBMMUPPFCKDN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.72
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115858860) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID115858860
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC(F)F)c1ccnn1C
InChIInChI=1S/C14H17F2N3O/c1-3-17-13(11-8-9-18-19(11)2)10-6-4-5-7-12(10)20-14(15)16/h4-9,13-14,17H,3H2,1-2H3
InChIKeySXHBMMUPPFCKDN-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105188811
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 43488937
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665
N-[(3-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63961805
N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105115211
[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288469
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 115858860) is N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccccc1OC(F)F)c1ccnn1C.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is SXHBMMUPPFCKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-3-17-13(11-8-9-18-19(11)2)10-6-4-5-7-12(10)20-14(15)16/h4-9,13-14,17H,3H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115858860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).