2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine

C17H26N4O — CID 166404355

IUPAC2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC1CN(CCn2cccn2)CCN1Cc1ccc(C)o1
InChIInChI=1S/C17H26N4O/c1-3-16-13-19(10-12-21-8-4-7-18-21)9-11-20(16)14-17-6-5-15(2)22-17/h4-8,16H,3,9-14H2,1-2H3
InChIKeyVEVXHCWRLLJHNS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds6

About 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine

2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 166404355) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID166404355
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC1CN(CCn2cccn2)CCN1Cc1ccc(C)o1
InChIInChI=1S/C17H26N4O/c1-3-16-13-19(10-12-21-8-4-7-18-21)9-11-20(16)14-17-6-5-15(2)22-17/h4-8,16H,3,9-14H2,1-2H3
InChIKeyVEVXHCWRLLJHNS-UHFFFAOYSA-N
XLogP2.38
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-Chloro-pyrazol-1-ylmethyl)-furan-2-yl]-(4-methyl-piperazin-1-yl)-methanone
CID 24792477
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetamide
CID 16191525
2-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperazin-2-yl}ethanol
CID 16192229
2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 16189804
2-{4-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-[(5-methyl-2-furyl)methyl]-2-piperazinyl}ethanol
CID 16192117
2-{1-[(5-methyl-2-furyl)methyl]-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16190627
2-{1-[(5-methyl-2-furyl)methyl]-4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16191355
1-[(5-Methylfuran-2-yl)methyl]-1H-pyrazol-5-amine
CID 1096902
N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 16677066
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine
CID 43818360
N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 45819301
4-(furan-2-ylmethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 45831710

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine (CID 166404355) is 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine is CCC1CN(CCn2cccn2)CCN1Cc1ccc(C)o1.
What is the InChIKey of 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is VEVXHCWRLLJHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-16-13-19(10-12-21-8-4-7-18-21)9-11-20(16)14-17-6-5-15(2)22-17/h4-8,16H,3,9-14H2,1-2H3.
What are the key properties of 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine?
2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 302.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 166404355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).