N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine

C12H14FN3O — CID 55145182

IUPACN-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1
InChIInChI=1S/C12H14FN3O/c1-3-14-12-7-10(15-16-12)8-4-5-11(17-2)9(13)6-8/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyNEMXCEFVZRJJCD-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.66
Rot. Bonds4

About N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine

N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 55145182) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID55145182
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1
InChIInChI=1S/C12H14FN3O/c1-3-14-12-7-10(15-16-12)8-4-5-11(17-2)9(13)6-8/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyNEMXCEFVZRJJCD-UHFFFAOYSA-N
XLogP2.66
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine (CID 55145182) is N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine is CCNc1cc(-c2ccc(OC)c(F)c2)[nH]n1.
What is the InChIKey of N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is NEMXCEFVZRJJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-14-12-7-10(15-16-12)8-4-5-11(17-2)9(13)6-8/h4-7H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine?
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 55145182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).