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

C19H24N4O — CID 120912974

IUPACN'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCc1ccc(-c2[nH]ncc2CN(CCN)CCc2ccccc2)o1
InChIInChI=1S/C19H24N4O/c1-15-7-8-18(24-15)19-17(13-21-22-19)14-23(12-10-20)11-9-16-5-3-2-4-6-16/h2-8,13H,9-12,14,20H2,1H3,(H,21,22)
InChIKeyYFUHMGFMIKGYHT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.98
Rot. Bonds8

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

N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120912974) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120912974
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCc1ccc(-c2[nH]ncc2CN(CCN)CCc2ccccc2)o1
InChIInChI=1S/C19H24N4O/c1-15-7-8-18(24-15)19-17(13-21-22-19)14-23(12-10-20)11-9-16-5-3-2-4-6-16/h2-8,13H,9-12,14,20H2,1H3,(H,21,22)
InChIKeyYFUHMGFMIKGYHT-UHFFFAOYSA-N
XLogP2.98
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 3914171
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120913021
1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
CID 111104767
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 120885072
N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine
CID 47620873
N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872218
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol
CID 154758484
N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912549
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120912974) is N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is Cc1ccc(-c2[nH]ncc2CN(CCN)CCc2ccccc2)o1.
What is the InChIKey of N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is YFUHMGFMIKGYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-7-8-18(24-15)19-17(13-21-22-19)14-23(12-10-20)11-9-16-5-3-2-4-6-16/h2-8,13H,9-12,14,20H2,1H3,(H,21,22).
What are the key properties of N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 324.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120912974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).