N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine

C11H11F2N3 — CID 167937484

IUPACN-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine
SMILESFCCNc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C11H11F2N3/c12-5-6-14-10-7-15-16(8-10)11-3-1-9(13)2-4-11/h1-4,7-8,14H,5-6H2
InChIKeyOPWNYUJNAFWWFK-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.39
Rot. Bonds4

About N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine

N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine (PubChem CID 167937484) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine
PubChem CID167937484
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC NameN-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine
SMILESFCCNc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C11H11F2N3/c12-5-6-14-10-7-15-16(8-10)11-3-1-9(13)2-4-11/h1-4,7-8,14H,5-6H2
InChIKeyOPWNYUJNAFWWFK-UHFFFAOYSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210594
N-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 82537198
1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
CID 82539254
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine
CID 110452430
2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine
CID 117230526
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
1-(4-fluorophenyl)-4-methoxypyrazole
CID 117229730
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
N'-[1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210967
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
3-[1-(4-fluorophenyl)pyrazol-4-yl]prop-2-enal
CID 169460176
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The IUPAC name of N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine (CID 167937484) is N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine is FCCNc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The InChIKey is OPWNYUJNAFWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-5-6-14-10-7-15-16(8-10)11-3-1-9(13)2-4-11/h1-4,7-8,14H,5-6H2.
What are the key properties of N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine?
N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine has a molecular weight of 223.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 167937484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).