1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine

C12H20N6 — CID 66011943

IUPAC1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2nccn2C)c1N
InChIInChI=1S/C12H20N6/c1-8(2)11-10(13)12(18(4)16-11)15-7-9-14-5-6-17(9)3/h5-6,8,15H,7,13H2,1-4H3
InChIKeyABSGBATYUOQNCJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds4

About 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine

1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66011943) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66011943
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2nccn2C)c1N
InChIInChI=1S/C12H20N6/c1-8(2)11-10(13)12(18(4)16-11)15-7-9-14-5-6-17(9)3/h5-6,8,15H,7,13H2,1-4H3
InChIKeyABSGBATYUOQNCJ-UHFFFAOYSA-N
XLogP1.47
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 66019173
5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525
1-methyl-3-propan-2-yl-5-N-(1H-pyrazol-5-ylmethyl)pyrazole-4,5-diamine
CID 66017428
1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
CID 106894776
1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile
CID 63757340
1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66017234
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
(2S)-2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248049
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957408
4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66019778
5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 104758808

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine (CID 66011943) is 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(NCc2nccn2C)c1N.
What is the InChIKey of 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is ABSGBATYUOQNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-8(2)11-10(13)12(18(4)16-11)15-7-9-14-5-6-17(9)3/h5-6,8,15H,7,13H2,1-4H3.
What are the key properties of 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66011943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).