2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine

C12H14FN3O — CID 71203699

IUPAC2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(OC(C)F)cc2)n1
InChIInChI=1S/C12H14FN3O/c1-8-7-12(14)16(15-8)10-3-5-11(6-4-10)17-9(2)13/h3-7,9H,14H2,1-2H3
InChIKeyUKBHUYWSJBJBSN-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.46
Rot. Bonds3

About 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine

2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine (PubChem CID 71203699) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine
PubChem CID71203699
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(OC(C)F)cc2)n1
InChIInChI=1S/C12H14FN3O/c1-8-7-12(14)16(15-8)10-3-5-11(6-4-10)17-9(2)13/h3-7,9H,14H2,1-2H3
InChIKeyUKBHUYWSJBJBSN-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine (CID 71203699) is 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2ccc(OC(C)F)cc2)n1.
What is the InChIKey of 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine?
The InChIKey is UKBHUYWSJBJBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-7-12(14)16(15-8)10-3-5-11(6-4-10)17-9(2)13/h3-7,9H,14H2,1-2H3.
What are the key properties of 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine?
2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoroethoxy)phenyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 71203699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).