1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine

C12H14FN3O — CID 7017263

IUPAC1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(COc2cccc(F)c2)c(C)c1N
InChIInChI=1S/C12H14FN3O/c1-8-12(14)9(2)16(15-8)7-17-11-5-3-4-10(13)6-11/h3-6H,7,14H2,1-2H3
InChIKeyNAFDPURJMLDPDK-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.26
Rot. Bonds3

About 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine

1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 7017263) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID7017263
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(COc2cccc(F)c2)c(C)c1N
InChIInChI=1S/C12H14FN3O/c1-8-12(14)9(2)16(15-8)7-17-11-5-3-4-10(13)6-11/h3-6H,7,14H2,1-2H3
InChIKeyNAFDPURJMLDPDK-UHFFFAOYSA-N
XLogP2.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine (CID 7017263) is 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine is Cc1nn(COc2cccc(F)c2)c(C)c1N.
What is the InChIKey of 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is NAFDPURJMLDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-12(14)9(2)16(15-8)7-17-11-5-3-4-10(13)6-11/h3-6H,7,14H2,1-2H3.
What are the key properties of 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 235.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 7017263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).