4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine

C11H12FN3 — CID 117293410

IUPAC4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
SMILESCC(F)c1cccc(-c2cn[nH]c2N)c1
InChIInChI=1S/C11H12FN3/c1-7(12)8-3-2-4-9(5-8)10-6-14-15-11(10)13/h2-7H,1H3,(H3,13,14,15)
InChIKeyHBKHGHRAEHFWOL-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.69
Rot. Bonds2

About 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine

4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117293410) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117293410
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
SMILESCC(F)c1cccc(-c2cn[nH]c2N)c1
InChIInChI=1S/C11H12FN3/c1-7(12)8-3-2-4-9(5-8)10-6-14-15-11(10)13/h2-7H,1H3,(H3,13,14,15)
InChIKeyHBKHGHRAEHFWOL-UHFFFAOYSA-N
XLogP2.69
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
CID 117331143
4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine
CID 117354767
4-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117444749
4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
CID 117346326
4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 117319233
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117416880
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117360992
1-(1-fluoroethyl)-3-(4-methylphenyl)benzene
CID 170974914

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine (CID 117293410) is 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine is CC(F)c1cccc(-c2cn[nH]c2N)c1.
What is the InChIKey of 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is HBKHGHRAEHFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7(12)8-3-2-4-9(5-8)10-6-14-15-11(10)13/h2-7H,1H3,(H3,13,14,15).
What are the key properties of 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine?
4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117293410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).