3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine

C12H14FN3 — CID 105474025

IUPAC3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c13-11-5-3-9(4-6-11)12-10(2-1-7-14)8-15-16-12/h3-6,8H,1-2,7,14H2,(H,15,16)
InChIKeyZPMCDKRHTLYIPW-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.11
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine

3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine (PubChem CID 105474025) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine
PubChem CID105474025
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c13-11-5-3-9(4-6-11)12-10(2-1-7-14)8-15-16-12/h3-6,8H,1-2,7,14H2,(H,15,16)
InChIKeyZPMCDKRHTLYIPW-UHFFFAOYSA-N
XLogP2.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
CID 105453769
4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 118289528
3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine
CID 115011513
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851
1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
CID 75204033
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
5-(4-fluorophenyl)-4-iodo-1H-pyrazole
CID 63735008
[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
1-benzyl-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine-1,4-diium
CID 7177633
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine
CID 23005889

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine (CID 105474025) is 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine is NCCCc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine?
The InChIKey is ZPMCDKRHTLYIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-11-5-3-9(4-6-11)12-10(2-1-7-14)8-15-16-12/h3-6,8H,1-2,7,14H2,(H,15,16).
What are the key properties of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine?
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 105474025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).