1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine

C11H17N5 — CID 106567183

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1Cc1cnn(C)c1
InChIInChI=1S/C11H17N5/c1-9(2)14-11-12-4-5-16(11)8-10-6-13-15(3)7-10/h4-7,9H,8H2,1-3H3,(H,12,14)
InChIKeyXUZWGQQWMSUSDU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.49
Rot. Bonds4

About 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine

1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106567183) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106567183
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1Cc1cnn(C)c1
InChIInChI=1S/C11H17N5/c1-9(2)14-11-12-4-5-16(11)8-10-6-13-15(3)7-10/h4-7,9H,8H2,1-3H3,(H,12,14)
InChIKeyXUZWGQQWMSUSDU-UHFFFAOYSA-N
XLogP1.49
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221815
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106579477
1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106565199
1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazol-2-amine
CID 62136959
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106568819
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106581680
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106581922
1-(naphthalen-1-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106571365

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine (CID 106567183) is 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1Cc1cnn(C)c1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is XUZWGQQWMSUSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(2)14-11-12-4-5-16(11)8-10-6-13-15(3)7-10/h4-7,9H,8H2,1-3H3,(H,12,14).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106567183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).