(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C11H19ClN4O — CID 119471291

IUPAC(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCn1cc(C(=O)N2CCNCC2C)cn1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-3-14-8-10(7-13-14)11(16)15-5-4-12-6-9(15)2;/h7-9,12H,3-6H2,1-2H3;1H
InChIKeyYOLHMZSXRIYWQP-UHFFFAOYSA-N
MW258.75 g/mol
LogP0.76
Rot. Bonds2

About (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119471291) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119471291
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCn1cc(C(=O)N2CCNCC2C)cn1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-3-14-8-10(7-13-14)11(16)15-5-4-12-6-9(15)2;/h7-9,12H,3-6H2,1-2H3;1H
InChIKeyYOLHMZSXRIYWQP-UHFFFAOYSA-N
XLogP0.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
[1-(3-bromophenyl)pyrazol-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 119470770
(2-methylpiperazin-1-yl)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 119472078
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472994
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119471291) is (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CCn1cc(C(=O)N2CCNCC2C)cn1.Cl.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YOLHMZSXRIYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-3-14-8-10(7-13-14)11(16)15-5-4-12-6-9(15)2;/h7-9,12H,3-6H2,1-2H3;1H.
What are the key properties of (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119471291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).