1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine

C11H11F2N3O — CID 118560161

IUPAC1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1c(F)cc(Cn2ccc(N)n2)cc1F
InChIInChI=1S/C11H11F2N3O/c1-17-11-8(12)4-7(5-9(11)13)6-16-3-2-10(14)15-16/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyLWLBFLRLAZUYIG-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.80
Rot. Bonds3

About 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine

1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 118560161) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine
PubChem CID118560161
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1c(F)cc(Cn2ccc(N)n2)cc1F
InChIInChI=1S/C11H11F2N3O/c1-17-11-8(12)4-7(5-9(11)13)6-16-3-2-10(14)15-16/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyLWLBFLRLAZUYIG-UHFFFAOYSA-N
XLogP1.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine (CID 118560161) is 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine is COc1c(F)cc(Cn2ccc(N)n2)cc1F.
What is the InChIKey of 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is LWLBFLRLAZUYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-17-11-8(12)4-7(5-9(11)13)6-16-3-2-10(14)15-16/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine?
1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 239.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 118560161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).