[4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C15H17ClN4O3 — CID 4581379

IUPAC[4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H17ClN4O3/c1-2-20-13(11(16)10-17-20)15(22)19-7-5-18(6-8-19)14(21)12-4-3-9-23-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDPOJLJLXVAOSLB-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.75
Rot. Bonds3

About [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 4581379) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID4581379
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name[4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H17ClN4O3/c1-2-20-13(11(16)10-17-20)15(22)19-7-5-18(6-8-19)14(21)12-4-3-9-23-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDPOJLJLXVAOSLB-UHFFFAOYSA-N
XLogP1.75
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19478958
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 19331820
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19478969
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38908946
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47137505
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38909971
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 4581379) is [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is CCn1ncc(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DPOJLJLXVAOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-2-20-13(11(16)10-17-20)15(22)19-7-5-18(6-8-19)14(21)12-4-3-9-23-12/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 336.78 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4581379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).