N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine

C13H20N4O — CID 61422601

IUPACN-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(C)Cc1ccoc1
InChIInChI=1S/C13H20N4O/c1-10-12(7-14-2)13(17(4)15-10)16(3)8-11-5-6-18-9-11/h5-6,9,14H,7-8H2,1-4H3
InChIKeyFPIVIYFETUUCSA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.68
Rot. Bonds5

About N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine

N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine (PubChem CID 61422601) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
PubChem CID61422601
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(C)Cc1ccoc1
InChIInChI=1S/C13H20N4O/c1-10-12(7-14-2)13(17(4)15-10)16(3)8-11-5-6-18-9-11/h5-6,9,14H,7-8H2,1-4H3
InChIKeyFPIVIYFETUUCSA-UHFFFAOYSA-N
XLogP1.68
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The IUPAC name of N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine (CID 61422601) is N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine is CNCc1c(C)nn(C)c1N(C)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The InChIKey is FPIVIYFETUUCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-12(7-14-2)13(17(4)15-10)16(3)8-11-5-6-18-9-11/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine?
N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine has a molecular weight of 248.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 61422601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).