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

C16H25N3O — CID 62440402

IUPACN-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2cc(CNC(C)C)c(C)o2)c(C)c1C
InChIInChI=1S/C16H25N3O/c1-10(2)17-8-15-7-16(20-14(15)6)9-19-13(5)11(3)12(4)18-19/h7,10,17H,8-9H2,1-6H3
InChIKeyZVUIEGLMPRPVLP-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.26
Rot. Bonds5

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

N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62440402) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62440402
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2cc(CNC(C)C)c(C)o2)c(C)c1C
InChIInChI=1S/C16H25N3O/c1-10(2)17-8-15-7-16(20-14(15)6)9-19-13(5)11(3)12(4)18-19/h7,10,17H,8-9H2,1-6H3
InChIKeyZVUIEGLMPRPVLP-UHFFFAOYSA-N
XLogP3.26
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62440400
2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62440596
N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62443312
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446739
N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540088
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55072648
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420942
N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine
CID 81464162
N-[[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62431577
N-[[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62435989
N-[[5-[(3-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62432690

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 62440402) is N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 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)o2)c(C)c1C.
What is the InChIKey of N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is ZVUIEGLMPRPVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(2)17-8-15-7-16(20-14(15)6)9-19-13(5)11(3)12(4)18-19/h7,10,17H,8-9H2,1-6H3.
What are the key properties of N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62440402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).