5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine

C12H14FN3O — CID 117342094

IUPAC5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)cccc1C(C)F
InChIInChI=1S/C12H14FN3O/c1-7(13)8-4-3-5-9(12(8)17-2)10-6-11(14)16-15-10/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyDJTUCGZHIONALB-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.70
Rot. Bonds3

About 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine

5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine (PubChem CID 117342094) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine
PubChem CID117342094
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)cccc1C(C)F
InChIInChI=1S/C12H14FN3O/c1-7(13)8-4-3-5-9(12(8)17-2)10-6-11(14)16-15-10/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyDJTUCGZHIONALB-UHFFFAOYSA-N
XLogP2.70
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
CID 117426026
5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117348125
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
5-(2-cyclopentyloxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117435982
5-phthalazin-5-yl-1H-pyrazol-3-amine
CID 117301213
5-(3-methoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 118614697
5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 117365767
5-(4-ethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3539207
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine (CID 117342094) is 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine is COc1c(-c2cc(N)n[nH]2)cccc1C(C)F.
What is the InChIKey of 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine?
The InChIKey is DJTUCGZHIONALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7(13)8-4-3-5-9(12(8)17-2)10-6-11(14)16-15-10/h3-7H,1-2H3,(H3,14,15,16).
What are the key properties of 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine?
5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117342094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).