3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine

C16H20BrN3 — CID 103570978

IUPAC3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine
SMILESCCn1cc(C2CCNCC2c2cccc(Br)c2)cn1
InChIInChI=1S/C16H20BrN3/c1-2-20-11-13(9-19-20)15-6-7-18-10-16(15)12-4-3-5-14(17)8-12/h3-5,8-9,11,15-16,18H,2,6-7,10H2,1H3
InChIKeyWPPBAZUZXCNGDY-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.53
Rot. Bonds3

About 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine

3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine (PubChem CID 103570978) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine
PubChem CID103570978
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine
SMILESCCn1cc(C2CCNCC2c2cccc(Br)c2)cn1
InChIInChI=1S/C16H20BrN3/c1-2-20-11-13(9-19-20)15-6-7-18-10-16(15)12-4-3-5-14(17)8-12/h3-5,8-9,11,15-16,18H,2,6-7,10H2,1H3
InChIKeyWPPBAZUZXCNGDY-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine?
The IUPAC name of 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine (CID 103570978) is 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine.
What is the SMILES notation for 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine?
The canonical SMILES for 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine is CCn1cc(C2CCNCC2c2cccc(Br)c2)cn1.
What is the InChIKey of 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine?
The InChIKey is WPPBAZUZXCNGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-2-20-11-13(9-19-20)15-6-7-18-10-16(15)12-4-3-5-14(17)8-12/h3-5,8-9,11,15-16,18H,2,6-7,10H2,1H3.
What are the key properties of 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine?
3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine has a molecular weight of 334.26 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine is sourced from PubChem (CID 103570978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).