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

C17H22FN3 — CID 45238845

IUPAC3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine
SMILESCCCN1CCCC(c2[nH]ncc2-c2cccc(F)c2)C1
InChIInChI=1S/C17H22FN3/c1-2-8-21-9-4-6-14(12-21)17-16(11-19-20-17)13-5-3-7-15(18)10-13/h3,5,7,10-11,14H,2,4,6,8-9,12H2,1H3,(H,19,20)
InChIKeyYWQSVLKOPBUAOC-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.81
Rot. Bonds4

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

3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine (PubChem CID 45238845) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine
PubChem CID45238845
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine
SMILESCCCN1CCCC(c2[nH]ncc2-c2cccc(F)c2)C1
InChIInChI=1S/C17H22FN3/c1-2-8-21-9-4-6-14(12-21)17-16(11-19-20-17)13-5-3-7-15(18)10-13/h3,5,7,10-11,14H,2,4,6,8-9,12H2,1H3,(H,19,20)
InChIKeyYWQSVLKOPBUAOC-UHFFFAOYSA-N
XLogP3.81
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine (CID 45238845) is 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine is CCCN1CCCC(c2[nH]ncc2-c2cccc(F)c2)C1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine?
The InChIKey is YWQSVLKOPBUAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-2-8-21-9-4-6-14(12-21)17-16(11-19-20-17)13-5-3-7-15(18)10-13/h3,5,7,10-11,14H,2,4,6,8-9,12H2,1H3,(H,19,20).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine?
3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine has a molecular weight of 287.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidine is sourced from PubChem (CID 45238845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).