3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine

C16H17N5 — CID 62222615

IUPAC3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine
SMILESCn1cc(-c2nc(-c3ccccc3)n(C3CC3)c2N)cn1
InChIInChI=1S/C16H17N5/c1-20-10-12(9-18-20)14-15(17)21(13-7-8-13)16(19-14)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8,17H2,1H3
InChIKeyVTLHJAVZSPVBBV-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.87
Rot. Bonds3

About 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine

3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine (PubChem CID 62222615) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine
PubChem CID62222615
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine
SMILESCn1cc(-c2nc(-c3ccccc3)n(C3CC3)c2N)cn1
InChIInChI=1S/C16H17N5/c1-20-10-12(9-18-20)14-15(17)21(13-7-8-13)16(19-14)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8,17H2,1H3
InChIKeyVTLHJAVZSPVBBV-UHFFFAOYSA-N
XLogP2.87
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine (CID 62222615) is 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine is Cn1cc(-c2nc(-c3ccccc3)n(C3CC3)c2N)cn1.
What is the InChIKey of 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine?
The InChIKey is VTLHJAVZSPVBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-20-10-12(9-18-20)14-15(17)21(13-7-8-13)16(19-14)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8,17H2,1H3.
What are the key properties of 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine?
3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine is sourced from PubChem (CID 62222615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).