1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine

C11H11F2N3O — CID 118560370

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C11H11F2N3O/c12-11(13)17-9-3-1-8(2-4-9)7-16-6-5-10(14)15-16/h1-6,11H,7H2,(H2,14,15)
InChIKeyYETFGCKOWQLZBX-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.12
Rot. Bonds4

About 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine

1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine (PubChem CID 118560370) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine
PubChem CID118560370
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C11H11F2N3O/c12-11(13)17-9-3-1-8(2-4-9)7-16-6-5-10(14)15-16/h1-6,11H,7H2,(H2,14,15)
InChIKeyYETFGCKOWQLZBX-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine (CID 118560370) is 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine is Nc1ccn(Cc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The InChIKey is YETFGCKOWQLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-11(13)17-9-3-1-8(2-4-9)7-16-6-5-10(14)15-16/h1-6,11H,7H2,(H2,14,15).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine?
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine has a molecular weight of 239.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 118560370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).