(4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride

C9H15Cl3N4O — CID 68528940

IUPAC(4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1cc(Cl)c(C(=O)N2CCNCC2)n1
InChIInChI=1S/C9H13ClN4O.2ClH/c1-13-6-7(10)8(12-13)9(15)14-4-2-11-3-5-14;;/h6,11H,2-5H2,1H3;2*1H
InChIKeyZYRXVYPVBPIBMM-UHFFFAOYSA-N
MW301.61 g/mol
LogP0.96
Rot. Bonds1

About (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride

(4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride (PubChem CID 68528940) has the molecular formula C9H15Cl3N4O and a molecular weight of 301.61 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
PubChem CID68528940
Molecular FormulaC9H15Cl3N4O
Molecular Weight301.61 g/mol
Exact Mass300.03
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1cc(Cl)c(C(=O)N2CCNCC2)n1
InChIInChI=1S/C9H13ClN4O.2ClH/c1-13-6-7(10)8(12-13)9(15)14-4-2-11-3-5-14;;/h6,11H,2-5H2,1H3;2*1H
InChIKeyZYRXVYPVBPIBMM-UHFFFAOYSA-N
XLogP0.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.61
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride (CID 68528940) is (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride is Cl.Cl.Cn1cc(Cl)c(C(=O)N2CCNCC2)n1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride?
The InChIKey is ZYRXVYPVBPIBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O.2ClH/c1-13-6-7(10)8(12-13)9(15)14-4-2-11-3-5-14;;/h6,11H,2-5H2,1H3;2*1H.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride?
(4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride has a molecular weight of 301.61 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 68528940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).