2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

C16H23ClN6O — CID 4771902

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCN(Cc3cnn(C)c3C)CC2)cc1Cl
InChIInChI=1S/C16H23ClN6O/c1-12-15(17)10-23(19-12)11-16(24)22-6-4-21(5-7-22)9-14-8-18-20(3)13(14)2/h8,10H,4-7,9,11H2,1-3H3
InChIKeyKMEIUBCRQTXTAN-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.23
Rot. Bonds4

About 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 4771902) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID4771902
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCN(Cc3cnn(C)c3C)CC2)cc1Cl
InChIInChI=1S/C16H23ClN6O/c1-12-15(17)10-23(19-12)11-16(24)22-6-4-21(5-7-22)9-14-8-18-20(3)13(14)2/h8,10H,4-7,9,11H2,1-3H3
InChIKeyKMEIUBCRQTXTAN-UHFFFAOYSA-N
XLogP1.23
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-{2-[(4-methyl-1H-pyrazol-1-yl)methyl]pyrrolidin-1-yl}ethan-1-one
CID 56779421
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4769927
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4770828
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4771290
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778912
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779092
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4769622
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4771328
(4-chloro-1-methyl-1H-pyrazol-3-yl){4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazino}methanone
CID 4771562
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
CID 19575660

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 4771902) is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone is Cc1nn(CC(=O)N2CCN(Cc3cnn(C)c3C)CC2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is KMEIUBCRQTXTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O/c1-12-15(17)10-23(19-12)11-16(24)22-6-4-21(5-7-22)9-14-8-18-20(3)13(14)2/h8,10H,4-7,9,11H2,1-3H3.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 350.85 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 4771902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).