[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C18H19ClN4O3 — CID 44820904

IUPAC[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C18H19ClN4O3/c19-14-10-20-23(11-14)13-16-3-4-17(26-16)18(24)22-7-5-21(6-8-22)12-15-2-1-9-25-15/h1-4,9-11H,5-8,12-13H2
InChIKeyGWCLFYVMIFETKD-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.73
Rot. Bonds5

About [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 44820904) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID44820904
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C18H19ClN4O3/c19-14-10-20-23(11-14)13-16-3-4-17(26-16)18(24)22-7-5-21(6-8-22)12-15-2-1-9-25-15/h1-4,9-11H,5-8,12-13H2
InChIKeyGWCLFYVMIFETKD-UHFFFAOYSA-N
XLogP2.73
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 19527848
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 35335152
furan-2-yl-[4-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone
CID 35523602
[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572443
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 86895803
(4-chloro-1-methylpyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56810671
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone
CID 19572433
[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572459
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-[(2-nitrophenoxy)methyl]furan-2-yl]methanone
CID 19572409
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 44820904) is [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is GWCLFYVMIFETKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-14-10-20-23(11-14)13-16-3-4-17(26-16)18(24)22-7-5-21(6-8-22)12-15-2-1-9-25-15/h1-4,9-11H,5-8,12-13H2.
What are the key properties of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 374.83 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 44820904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).