(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone

C10H15ClN4O — CID 82511609

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCc1c(Cl)c(C(=O)N2CCNCC2)nn1C
InChIInChI=1S/C10H15ClN4O/c1-7-8(11)9(13-14(7)2)10(16)15-5-3-12-4-6-15/h12H,3-6H2,1-2H3
InChIKeyLZLKYWXWAFUDKP-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.43
Rot. Bonds1

About (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 82511609) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
PubChem CID82511609
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCc1c(Cl)c(C(=O)N2CCNCC2)nn1C
InChIInChI=1S/C10H15ClN4O/c1-7-8(11)9(13-14(7)2)10(16)15-5-3-12-4-6-15/h12H,3-6H2,1-2H3
InChIKeyLZLKYWXWAFUDKP-UHFFFAOYSA-N
XLogP0.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82512006
(4-chloro-1,5-dimethylpyrazol-3-yl)-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 56884820
(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 72938609
(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone
CID 138035622
3-[4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)propanal
CID 174584166
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
2-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 122108371
4-[4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]-1H-pyrimidin-6-one;formic acid
CID 154923994
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138000422
4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
CID 4770956
(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
CID 83904063

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone (CID 82511609) is (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone is Cc1c(Cl)c(C(=O)N2CCNCC2)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is LZLKYWXWAFUDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-7-8(11)9(13-14(7)2)10(16)15-5-3-12-4-6-15/h12H,3-6H2,1-2H3.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 242.71 g/mol, XLogP of 0.43, 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)-piperazin-1-ylmethanone is sourced from PubChem (CID 82511609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).