N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine

C20H26N4O — CID 47620873

IUPACN'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine
SMILESCc1ccc(-c2[nH]ncc2CNCCCCN(C)c2ccccc2)o1
InChIInChI=1S/C20H26N4O/c1-16-10-11-19(25-16)20-17(15-22-23-20)14-21-12-6-7-13-24(2)18-8-4-3-5-9-18/h3-5,8-11,15,21H,6-7,12-14H2,1-2H3,(H,22,23)
InChIKeyIGEYMMNIXRSTLP-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.98
Rot. Bonds9

About N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine

N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine (PubChem CID 47620873) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine
PubChem CID47620873
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine
SMILESCc1ccc(-c2[nH]ncc2CNCCCCN(C)c2ccccc2)o1
InChIInChI=1S/C20H26N4O/c1-16-10-11-19(25-16)20-17(15-22-23-20)14-21-12-6-7-13-24(2)18-8-4-3-5-9-18/h3-5,8-11,15,21H,6-7,12-14H2,1-2H3,(H,22,23)
InChIKeyIGEYMMNIXRSTLP-UHFFFAOYSA-N
XLogP3.98
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
CID 43775405
1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
CID 111104767
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 75690208
1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide
CID 56798033
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
[1-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]cyclopentyl]methanol
CID 115358774
N-(1H-imidazol-2-ylmethyl)-N'-methyl-N'-phenylbutane-1,4-diamine
CID 119111564

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine (CID 47620873) is N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine is Cc1ccc(-c2[nH]ncc2CNCCCCN(C)c2ccccc2)o1.
What is the InChIKey of N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine?
The InChIKey is IGEYMMNIXRSTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-10-11-19(25-16)20-17(15-22-23-20)14-21-12-6-7-13-24(2)18-8-4-3-5-9-18/h3-5,8-11,15,21H,6-7,12-14H2,1-2H3,(H,22,23).
What are the key properties of N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine?
N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine has a molecular weight of 338.46 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine is sourced from PubChem (CID 47620873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).