1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone

C12H19ClN4O — CID 114642034

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)c2c(Cl)cnn2C)C1
InChIInChI=1S/C12H19ClN4O/c1-15-4-5-16(2)9(8-15)6-11(18)12-10(13)7-14-17(12)3/h7,9H,4-6,8H2,1-3H3
InChIKeyLHCQFTVWFSPHAD-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.89
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone

1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone (PubChem CID 114642034) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
PubChem CID114642034
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)c2c(Cl)cnn2C)C1
InChIInChI=1S/C12H19ClN4O/c1-15-4-5-16(2)9(8-15)6-11(18)12-10(13)7-14-17(12)3/h7,9H,4-6,8H2,1-3H3
InChIKeyLHCQFTVWFSPHAD-UHFFFAOYSA-N
XLogP0.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168123
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 115414583
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 113305458
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197551
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669984
1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 114725938
2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
CID 115414691
2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114670623
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114669269

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone (CID 114642034) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone is CN1CCN(C)C(CC(=O)c2c(Cl)cnn2C)C1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The InChIKey is LHCQFTVWFSPHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-15-4-5-16(2)9(8-15)6-11(18)12-10(13)7-14-17(12)3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone has a molecular weight of 270.76 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 114642034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).