5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine

C11H12FN3 — CID 117293401

IUPAC5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(CCF)cc2)[nH]n1
InChIInChI=1S/C11H12FN3/c12-6-5-8-1-3-9(4-2-8)10-7-11(13)15-14-10/h1-4,7H,5-6H2,(H3,13,14,15)
InChIKeyLIXBRCSUFLOKGD-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.17
Rot. Bonds3

About 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine

5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117293401) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117293401
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(CCF)cc2)[nH]n1
InChIInChI=1S/C11H12FN3/c12-6-5-8-1-3-9(4-2-8)10-7-11(13)15-14-10/h1-4,7H,5-6H2,(H3,13,14,15)
InChIKeyLIXBRCSUFLOKGD-UHFFFAOYSA-N
XLogP2.17
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
CID 117309554
5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
CID 115111556
5-(4-benzylphenyl)-1H-pyrazol-3-amine
CID 3651142
5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine
CID 117429379
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
CID 115111529
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
5-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117494004
5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine
CID 163569629
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine
CID 117365790
5-(3,4,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 63186082
5-(3-ethylphenyl)-1H-pyrazol-3-amine
CID 117280888

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine (CID 117293401) is 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccc(CCF)cc2)[nH]n1.
What is the InChIKey of 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is LIXBRCSUFLOKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-6-5-8-1-3-9(4-2-8)10-7-11(13)15-14-10/h1-4,7H,5-6H2,(H3,13,14,15).
What are the key properties of 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine?
5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 205.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117293401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).