2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

C17H27N3O — CID 62440596

IUPAC2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2cc(CNC(C)(C)C)c(C)o2)c(C)c1C
InChIInChI=1S/C17H27N3O/c1-11-12(2)19-20(13(11)3)10-16-8-15(14(4)21-16)9-18-17(5,6)7/h8,18H,9-10H2,1-7H3
InChIKeyODQULOGQAJHUNH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.65
Rot. Bonds4

About 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62440596) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62440596
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2cc(CNC(C)(C)C)c(C)o2)c(C)c1C
InChIInChI=1S/C17H27N3O/c1-11-12(2)19-20(13(11)3)10-16-8-15(14(4)21-16)9-18-17(5,6)7/h8,18H,9-10H2,1-7H3
InChIKeyODQULOGQAJHUNH-UHFFFAOYSA-N
XLogP3.65
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
N-cyclopropyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16188732
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetamide
CID 16191525
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5976730
1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide
CID 2738491
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
CID 16192234
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
3-(3-Methyl-1H-pyrazol-1-YL)-N-[(5-methylfuran-2-YL)methyl]propanamide
CID 46339419
N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]furan-2-carboxamide
CID 53539351
N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 62440596) is 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is Cc1nn(Cc2cc(CNC(C)(C)C)c(C)o2)c(C)c1C.
What is the InChIKey of 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is ODQULOGQAJHUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11-12(2)19-20(13(11)3)10-16-8-15(14(4)21-16)9-18-17(5,6)7/h8,18H,9-10H2,1-7H3.
What are the key properties of 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62440596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).