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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Related Compounds

N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 61422603
4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 62207198
N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 55259433
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 61418169
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine
CID 61422691
N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073490
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416689
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61448745
4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43527108
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
CID 61422400
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine
CID 61442546

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).