(4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone

C12H19ClN4O — CID 128923183

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCc1c(Cl)c(C(=O)N2CCNC(C)C2C)nn1C
InChIInChI=1S/C12H19ClN4O/c1-7-8(2)17(6-5-14-7)12(18)11-10(13)9(3)16(4)15-11/h7-8,14H,5-6H2,1-4H3
InChIKeyDINNVLZDBPGFMR-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.20
Rot. Bonds1

About (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 128923183) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID128923183
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCc1c(Cl)c(C(=O)N2CCNC(C)C2C)nn1C
InChIInChI=1S/C12H19ClN4O/c1-7-8(2)17(6-5-14-7)12(18)11-10(13)9(3)16(4)15-11/h7-8,14H,5-6H2,1-4H3
InChIKeyDINNVLZDBPGFMR-UHFFFAOYSA-N
XLogP1.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone (CID 128923183) is (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone is Cc1c(Cl)c(C(=O)N2CCNC(C)C2C)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is DINNVLZDBPGFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7-8(2)17(6-5-14-7)12(18)11-10(13)9(3)16(4)15-11/h7-8,14H,5-6H2,1-4H3.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 270.76 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 128923183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).