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

C13H22N6 — CID 66012525

IUPAC5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)Cc2nccn2C)c1N
InChIInChI=1S/C13H22N6/c1-9(2)12-11(14)13(19(5)16-12)18(4)8-10-15-6-7-17(10)3/h6-7,9H,8,14H2,1-5H3
InChIKeyLPTDFFCUALITKK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.50
Rot. Bonds4

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

5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66012525) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66012525
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)Cc2nccn2C)c1N
InChIInChI=1S/C13H22N6/c1-9(2)12-11(14)13(19(5)16-12)18(4)8-10-15-6-7-17(10)3/h6-7,9H,8,14H2,1-5H3
InChIKeyLPTDFFCUALITKK-UHFFFAOYSA-N
XLogP1.50
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011943
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
CID 66019786
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66017999
4-(chloromethyl)-N,1,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazol-5-amine
CID 63013984
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011559
5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393591
5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 81059062
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103421941
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220

Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine (CID 66012525) is 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(N(C)Cc2nccn2C)c1N.
What is the InChIKey of 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is LPTDFFCUALITKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9(2)12-11(14)13(19(5)16-12)18(4)8-10-15-6-7-17(10)3/h6-7,9H,8,14H2,1-5H3.
What are the key properties of 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66012525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).