(4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

C15H21BrN6O — CID 19514867

IUPAC(4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)c3[nH]ncc3Br)CC2)c(C)n1
InChIInChI=1S/C15H21BrN6O/c1-3-22-10-12(11(2)19-22)9-20-4-6-21(7-5-20)15(23)14-13(16)8-17-18-14/h8,10H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyIQSSBQRYOSJPII-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.66
Rot. Bonds4

About (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

(4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 19514867) has the molecular formula C15H21BrN6O and a molecular weight of 381.28 g/mol. Its IUPAC name is (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID19514867
Molecular FormulaC15H21BrN6O
Molecular Weight381.28 g/mol
Exact Mass380.10
IUPAC Name(4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)c3[nH]ncc3Br)CC2)c(C)n1
InChIInChI=1S/C15H21BrN6O/c1-3-22-10-12(11(2)19-22)9-20-4-6-21(7-5-20)15(23)14-13(16)8-17-18-14/h8,10H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyIQSSBQRYOSJPII-UHFFFAOYSA-N
XLogP1.66
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1H-pyrazol-5-yl)-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19514872
(1-ethyl-5-methylpyrazol-4-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19478179
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-(methoxymethyl)pyrazol-3-yl]methanone
CID 19472769
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 19333939
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51594824
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19472649
(3-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441682
(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572632
3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 46971837
3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 171667409
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19514960
(4-chloro-1H-pyrazol-5-yl)-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19514739

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CID 19514867) is (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is CCn1cc(CN2CCN(C(=O)c3[nH]ncc3Br)CC2)c(C)n1.
What is the InChIKey of (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is IQSSBQRYOSJPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN6O/c1-3-22-10-12(11(2)19-22)9-20-4-6-21(7-5-20)15(23)14-13(16)8-17-18-14/h8,10H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
(4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 381.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19514867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).