1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine

C13H18N4O — CID 116825934

IUPAC1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine
SMILESCc1ccc(-c2cc(N3CCNCC3)nn2C)o1
InChIInChI=1S/C13H18N4O/c1-10-3-4-12(18-10)11-9-13(15-16(11)2)17-7-5-14-6-8-17/h3-4,9,14H,5-8H2,1-2H3
InChIKeyWEQPSOUQRIHFEI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.40
Rot. Bonds2

About 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine

1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine (PubChem CID 116825934) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine
PubChem CID116825934
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine
SMILESCc1ccc(-c2cc(N3CCNCC3)nn2C)o1
InChIInChI=1S/C13H18N4O/c1-10-3-4-12(18-10)11-9-13(15-16(11)2)17-7-5-14-6-8-17/h3-4,9,14H,5-8H2,1-2H3
InChIKeyWEQPSOUQRIHFEI-UHFFFAOYSA-N
XLogP1.40
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine
CID 116825936
1-methyl-5-(5-methylfuran-2-yl)pyrazole
CID 116869204
4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
CID 63333142
4-(5-methylfuran-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 63342295
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 83850463
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486
5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
CID 97034386
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
3-piperazin-1-yl-5-propan-2-yl-1,2-oxazole
CID 83669738
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine?
The IUPAC name of 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine (CID 116825934) is 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine is Cc1ccc(-c2cc(N3CCNCC3)nn2C)o1.
What is the InChIKey of 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine?
The InChIKey is WEQPSOUQRIHFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-3-4-12(18-10)11-9-13(15-16(11)2)17-7-5-14-6-8-17/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine?
1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine has a molecular weight of 246.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine is sourced from PubChem (CID 116825934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).