2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

C14H17ClN4O2 — CID 19527848

IUPAC2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cc(Cl)cn1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H17ClN4O2/c15-12-8-16-19(9-12)11-14(20)18-5-3-17(4-6-18)10-13-2-1-7-21-13/h1-2,7-9H,3-6,10-11H2
InChIKeyJEIWOEVSRTVMKV-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.47
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 19527848) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID19527848
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cc(Cl)cn1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H17ClN4O2/c15-12-8-16-19(9-12)11-14(20)18-5-3-17(4-6-18)10-13-2-1-7-21-13/h1-2,7-9H,3-6,10-11H2
InChIKeyJEIWOEVSRTVMKV-UHFFFAOYSA-N
XLogP1.47
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 44820904
2-(3-amino-1,2,4-triazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 61113519
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60939107
3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 19542092
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
CID 61034881
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
(4-chloro-1-methylpyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56810671
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19572708

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (CID 19527848) is 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is O=C(Cn1cc(Cl)cn1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is JEIWOEVSRTVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-12-8-16-19(9-12)11-14(20)18-5-3-17(4-6-18)10-13-2-1-7-21-13/h1-2,7-9H,3-6,10-11H2.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 308.77 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 19527848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).