(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone

C11H17ClN4O — CID 82512006

IUPAC(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCCc1c(Cl)c(C(=O)N2CCNCC2)nn1C
InChIInChI=1S/C11H17ClN4O/c1-3-8-9(12)10(14-15(8)2)11(17)16-6-4-13-5-7-16/h13H,3-7H2,1-2H3
InChIKeyJYJJWUNBNODQJA-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.68
Rot. Bonds2

About (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone

(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 82512006) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
PubChem CID82512006
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCCc1c(Cl)c(C(=O)N2CCNCC2)nn1C
InChIInChI=1S/C11H17ClN4O/c1-3-8-9(12)10(14-15(8)2)11(17)16-6-4-13-5-7-16/h13H,3-7H2,1-2H3
InChIKeyJYJJWUNBNODQJA-UHFFFAOYSA-N
XLogP0.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
5-ethyl-4-iodo-1-methylpyrazole-3-carboxylic acid
CID 62268895
ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 19279489
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66026319
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736
piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone
CID 82509572
(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
CID 82510921
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one
CID 171630766
piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
CID 82509550

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone (CID 82512006) is (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone is CCc1c(Cl)c(C(=O)N2CCNCC2)nn1C.
What is the InChIKey of (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is JYJJWUNBNODQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-3-8-9(12)10(14-15(8)2)11(17)16-6-4-13-5-7-16/h13H,3-7H2,1-2H3.
What are the key properties of (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone?
(4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 256.74 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-ethyl-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82512006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).