4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine

C15H18BrN3 — CID 170835984

IUPAC4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine
SMILESCN1CCC(n2cc(-c3ccc(Br)cc3)cn2)CC1
InChIInChI=1S/C15H18BrN3/c1-18-8-6-15(7-9-18)19-11-13(10-17-19)12-2-4-14(16)5-3-12/h2-5,10-11,15H,6-9H2,1H3
InChIKeyRXHFWNXXYSULIH-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.58
Rot. Bonds2

About 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine

4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine (PubChem CID 170835984) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine
PubChem CID170835984
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine
SMILESCN1CCC(n2cc(-c3ccc(Br)cc3)cn2)CC1
InChIInChI=1S/C15H18BrN3/c1-18-8-6-15(7-9-18)19-11-13(10-17-19)12-2-4-14(16)5-3-12/h2-5,10-11,15H,6-9H2,1H3
InChIKeyRXHFWNXXYSULIH-UHFFFAOYSA-N
XLogP3.58
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline
CID 169231151
1-(1-methylpiperidin-4-yl)pyrazole-4-thiol
CID 149139949
1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
CID 121383014
N-[3-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]phenyl]buta-1,3-dien-2-yl]-1-methylpyrazol-4-amine
CID 153337112
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline
CID 171679495
tert-butyl 4-[4-(6-bromonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172868843
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
CID 67388256
(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine
CID 167220167
1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166637826
3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 146424750

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine (CID 170835984) is 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine is CN1CCC(n2cc(-c3ccc(Br)cc3)cn2)CC1.
What is the InChIKey of 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine?
The InChIKey is RXHFWNXXYSULIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-18-8-6-15(7-9-18)19-11-13(10-17-19)12-2-4-14(16)5-3-12/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine?
4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine has a molecular weight of 320.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine is sourced from PubChem (CID 170835984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).