4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine

C16H19N5 — CID 106571085

IUPAC4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(Nc2cnn(C(C)C)c2)n1
InChIInChI=1S/C16H19N5/c1-12(2)21-11-14(9-17-21)19-16-18-13(3)10-20(16)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,18,19)
InChIKeyBGUCVSXKKVLFSH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.70
Rot. Bonds4

About 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine

4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine (PubChem CID 106571085) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine
PubChem CID106571085
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(Nc2cnn(C(C)C)c2)n1
InChIInChI=1S/C16H19N5/c1-12(2)21-11-14(9-17-21)19-16-18-13(3)10-20(16)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,18,19)
InChIKeyBGUCVSXKKVLFSH-UHFFFAOYSA-N
XLogP3.70
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine (CID 106571085) is 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine is Cc1cn(-c2ccccc2)c(Nc2cnn(C(C)C)c2)n1.
What is the InChIKey of 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine?
The InChIKey is BGUCVSXKKVLFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12(2)21-11-14(9-17-21)19-16-18-13(3)10-20(16)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine?
4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine is sourced from PubChem (CID 106571085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).