4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine

C9H14N6 — CID 82237860

IUPAC4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine
SMILESCN(Cc1nccn1C)c1cn[nH]c1N
InChIInChI=1S/C9H14N6/c1-14-4-3-11-8(14)6-15(2)7-5-12-13-9(7)10/h3-5H,6H2,1-2H3,(H3,10,12,13)
InChIKeyIWLBRLPKRKPJRK-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.36
Rot. Bonds3

About 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine

4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine (PubChem CID 82237860) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine
PubChem CID82237860
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine
SMILESCN(Cc1nccn1C)c1cn[nH]c1N
InChIInChI=1S/C9H14N6/c1-14-4-3-11-8(14)6-15(2)7-5-12-13-9(7)10/h3-5H,6H2,1-2H3,(H3,10,12,13)
InChIKeyIWLBRLPKRKPJRK-UHFFFAOYSA-N
XLogP0.36
TPSA75.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
4-bromo-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 63013204
6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine
CID 106948056
2-(difluoromethyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63735656
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63369043
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63015295
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarbothioamide
CID 79519844
2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 55181751
2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958210

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine (CID 82237860) is 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine is CN(Cc1nccn1C)c1cn[nH]c1N.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine?
The InChIKey is IWLBRLPKRKPJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-4-3-11-8(14)6-15(2)7-5-12-13-9(7)10/h3-5H,6H2,1-2H3,(H3,10,12,13).
What are the key properties of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine?
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82237860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).