(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride

C10H17ClN4O — CID 119402592

IUPAC(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)n(C)n1.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-8-7-9(13(2)12-8)10(15)14-5-3-11-4-6-14;/h7,11H,3-6H2,1-2H3;1H
InChIKeyHZFHFYAVRCQTPB-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.20
Rot. Bonds1

About (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride

(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119402592) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119402592
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)n(C)n1.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-8-7-9(13(2)12-8)10(15)14-5-3-11-4-6-14;/h7,11H,3-6H2,1-2H3;1H
InChIKeyHZFHFYAVRCQTPB-UHFFFAOYSA-N
XLogP0.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone
CID 119417802
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,5-dimethylpyrazol-3-yl)methanone
CID 81483265
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66128203
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 66128615
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride (CID 119402592) is (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride is Cc1cc(C(=O)N2CCNCC2)n(C)n1.Cl.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is HZFHFYAVRCQTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c1-8-7-9(13(2)12-8)10(15)14-5-3-11-4-6-14;/h7,11H,3-6H2,1-2H3;1H.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119402592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).