N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

C15H19F2N3O — CID 77084100

IUPACN-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCOc1ccc(F)c(F)c1CN(C)CCCn1cccn1
InChIInChI=1S/C15H19F2N3O/c1-19(8-4-10-20-9-3-7-18-20)11-12-14(21-2)6-5-13(16)15(12)17/h3,5-7,9H,4,8,10-11H2,1-2H3
InChIKeyZFDARYJVSAOOHT-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.69
Rot. Bonds7

About N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (PubChem CID 77084100) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
PubChem CID77084100
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCOc1ccc(F)c(F)c1CN(C)CCCn1cccn1
InChIInChI=1S/C15H19F2N3O/c1-19(8-4-10-20-9-3-7-18-20)11-12-14(21-2)6-5-13(16)15(12)17/h3,5-7,9H,4,8,10-11H2,1-2H3
InChIKeyZFDARYJVSAOOHT-UHFFFAOYSA-N
XLogP2.69
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (CID 77084100) is N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is COc1ccc(F)c(F)c1CN(C)CCCn1cccn1.
What is the InChIKey of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is ZFDARYJVSAOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-19(8-4-10-20-9-3-7-18-20)11-12-14(21-2)6-5-13(16)15(12)17/h3,5-7,9H,4,8,10-11H2,1-2H3.
What are the key properties of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 77084100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).