N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine

C16H26N4O — CID 156571070

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine
SMILESCC(C)NCc1ccc(CC(C)NCc2ccn(C)n2)o1
InChIInChI=1S/C16H26N4O/c1-12(2)17-11-16-6-5-15(21-16)9-13(3)18-10-14-7-8-20(4)19-14/h5-8,12-13,17-18H,9-11H2,1-4H3
InChIKeyWZJYOLDDICOUQE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds8

About N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine

N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine (PubChem CID 156571070) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine
PubChem CID156571070
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine
SMILESCC(C)NCc1ccc(CC(C)NCc2ccn(C)n2)o1
InChIInChI=1S/C16H26N4O/c1-12(2)17-11-16-6-5-15(21-16)9-13(3)18-10-14-7-8-20(4)19-14/h5-8,12-13,17-18H,9-11H2,1-4H3
InChIKeyWZJYOLDDICOUQE-UHFFFAOYSA-N
XLogP2.23
TPSA55.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine with MolForge

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Related Compounds

1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 113230700
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82871909
N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 78921223
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 78947948
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882116
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine (CID 156571070) is N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine is CC(C)NCc1ccc(CC(C)NCc2ccn(C)n2)o1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine?
The InChIKey is WZJYOLDDICOUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)17-11-16-6-5-15(21-16)9-13(3)18-10-14-7-8-20(4)19-14/h5-8,12-13,17-18H,9-11H2,1-4H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine?
N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine is sourced from PubChem (CID 156571070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).