3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine

C17H15N5 — CID 164623170

IUPAC3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine
SMILESCn1cc(-c2n[nH]c3ccc(Nc4ccccc4)cc23)cn1
InChIInChI=1S/C17H15N5/c1-22-11-12(10-18-22)17-15-9-14(7-8-16(15)20-21-17)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,20,21)
InChIKeyMGGKZDJYOCFTRS-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.71
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine

3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine (PubChem CID 164623170) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine
PubChem CID164623170
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine
SMILESCn1cc(-c2n[nH]c3ccc(Nc4ccccc4)cc23)cn1
InChIInChI=1S/C17H15N5/c1-22-11-12(10-18-22)17-15-9-14(7-8-16(15)20-21-17)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,20,21)
InChIKeyMGGKZDJYOCFTRS-UHFFFAOYSA-N
XLogP3.71
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine (CID 164623170) is 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine is Cn1cc(-c2n[nH]c3ccc(Nc4ccccc4)cc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine?
The InChIKey is MGGKZDJYOCFTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-22-11-12(10-18-22)17-15-9-14(7-8-16(15)20-21-17)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,20,21).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine?
3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine has a molecular weight of 289.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine is sourced from PubChem (CID 164623170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).