3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine

C16H19N5 — CID 62220880

IUPAC3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2cnn(-c3ccccc3)c2)c(N)n1C
InChIInChI=1S/C16H19N5/c1-11(2)16-19-14(15(17)20(16)3)12-9-18-21(10-12)13-7-5-4-6-8-13/h4-11H,17H2,1-3H3
InChIKeyCDUIEVCYORZKRT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.98
Rot. Bonds3

About 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine

3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine (PubChem CID 62220880) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine
PubChem CID62220880
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2cnn(-c3ccccc3)c2)c(N)n1C
InChIInChI=1S/C16H19N5/c1-11(2)16-19-14(15(17)20(16)3)12-9-18-21(10-12)13-7-5-4-6-8-13/h4-11H,17H2,1-3H3
InChIKeyCDUIEVCYORZKRT-UHFFFAOYSA-N
XLogP2.98
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine (CID 62220880) is 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine is CC(C)c1nc(-c2cnn(-c3ccccc3)c2)c(N)n1C.
What is the InChIKey of 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is CDUIEVCYORZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(2)16-19-14(15(17)20(16)3)12-9-18-21(10-12)13-7-5-4-6-8-13/h4-11H,17H2,1-3H3.
What are the key properties of 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine?
3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62220880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).