4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine

C9H12N4O — CID 82236923

IUPAC4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
SMILESCN(Cc1ccoc1)c1cn[nH]c1N
InChIInChI=1S/C9H12N4O/c1-13(5-7-2-3-14-6-7)8-4-11-12-9(8)10/h2-4,6H,5H2,1H3,(H3,10,11,12)
InChIKeyUTZQIJIYOKRORW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.22
Rot. Bonds3

About 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine

4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine (PubChem CID 82236923) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
PubChem CID82236923
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
SMILESCN(Cc1ccoc1)c1cn[nH]c1N
InChIInChI=1S/C9H12N4O/c1-13(5-7-2-3-14-6-7)8-4-11-12-9(8)10/h2-4,6H,5H2,1H3,(H3,10,11,12)
InChIKeyUTZQIJIYOKRORW-UHFFFAOYSA-N
XLogP1.22
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236296
4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
CID 82236914
4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine
CID 82236281
3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine
CID 106949132
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82237860
1-N-(furan-3-ylmethyl)-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61422232
5-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylpyridin-2-amine
CID 61421914
2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide
CID 114278284
N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073490
6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80795367
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796546

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine (CID 82236923) is 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine is CN(Cc1ccoc1)c1cn[nH]c1N.
What is the InChIKey of 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine?
The InChIKey is UTZQIJIYOKRORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-13(5-7-2-3-14-6-7)8-4-11-12-9(8)10/h2-4,6H,5H2,1H3,(H3,10,11,12).
What are the key properties of 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine?
4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine has a molecular weight of 192.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).