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

C16H23N3O — CID 62443312

IUPACN-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cc(CNC3CC3)oc2C)c(C)c1C
InChIInChI=1S/C16H23N3O/c1-10-11(2)18-19(12(10)3)9-14-7-16(20-13(14)4)8-17-15-5-6-15/h7,15,17H,5-6,8-9H2,1-4H3
InChIKeyGKBOMMWTWVUPKW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds5

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

N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62443312) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62443312
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cc(CNC3CC3)oc2C)c(C)c1C
InChIInChI=1S/C16H23N3O/c1-10-11(2)18-19(12(10)3)9-14-7-16(20-13(14)4)8-17-15-5-6-15/h7,15,17H,5-6,8-9H2,1-4H3
InChIKeyGKBOMMWTWVUPKW-UHFFFAOYSA-N
XLogP3.01
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62443312) is N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is Cc1nn(Cc2cc(CNC3CC3)oc2C)c(C)c1C.
What is the InChIKey of N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is GKBOMMWTWVUPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-11(2)18-19(12(10)3)9-14-7-16(20-13(14)4)8-17-15-5-6-15/h7,15,17H,5-6,8-9H2,1-4H3.
What are the key properties of N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 273.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62443312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).