1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine

C15H19BrN4 — CID 84610405

IUPAC1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine
SMILESCc1cc(Br)ccc1-n1cc(CN2CCNCC2)cn1
InChIInChI=1S/C15H19BrN4/c1-12-8-14(16)2-3-15(12)20-11-13(9-18-20)10-19-6-4-17-5-7-19/h2-3,8-9,11,17H,4-7,10H2,1H3
InChIKeyKKXUYRNXXPMHBG-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.35
Rot. Bonds3

About 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine

1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 84610405) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine
PubChem CID84610405
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine
SMILESCc1cc(Br)ccc1-n1cc(CN2CCNCC2)cn1
InChIInChI=1S/C15H19BrN4/c1-12-8-14(16)2-3-15(12)20-11-13(9-18-20)10-19-6-4-17-5-7-19/h2-3,8-9,11,17H,4-7,10H2,1H3
InChIKeyKKXUYRNXXPMHBG-UHFFFAOYSA-N
XLogP2.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]methyl]piperazine
CID 84610406
1-(4-bromo-2-methylphenyl)-4-(3-bromophenyl)pyrazole
CID 104508555
1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine
CID 117394580
[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol
CID 62122562
1-(4-bromo-2-methylphenyl)-7-methyl-1,4-diazepane
CID 82307445
1-[(6-bromo-1-benzothiophen-2-yl)methyl]piperazine
CID 82667803
4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 166906205
2-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908419
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
5-bromo-1-benzothiophene;1-[(3-bromophenyl)methyl]piperazine
CID 174945955
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
CID 83903383
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine (CID 84610405) is 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine is Cc1cc(Br)ccc1-n1cc(CN2CCNCC2)cn1.
What is the InChIKey of 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is KKXUYRNXXPMHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-12-8-14(16)2-3-15(12)20-11-13(9-18-20)10-19-6-4-17-5-7-19/h2-3,8-9,11,17H,4-7,10H2,1H3.
What are the key properties of 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine?
1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 335.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 84610405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).