3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine

C13H13N5 — CID 71040961

IUPAC3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
SMILESCn1cc(-c2cc(N)n(-c3ccccc3)n2)cn1
InChIInChI=1S/C13H13N5/c1-17-9-10(8-15-17)12-7-13(14)18(16-12)11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKeyGNQSYWNRONXBPE-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.86
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine

3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine (PubChem CID 71040961) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
PubChem CID71040961
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
SMILESCn1cc(-c2cc(N)n(-c3ccccc3)n2)cn1
InChIInChI=1S/C13H13N5/c1-17-9-10(8-15-17)12-7-13(14)18(16-12)11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKeyGNQSYWNRONXBPE-UHFFFAOYSA-N
XLogP1.86
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine (CID 71040961) is 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine is Cn1cc(-c2cc(N)n(-c3ccccc3)n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine?
The InChIKey is GNQSYWNRONXBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-17-9-10(8-15-17)12-7-13(14)18(16-12)11-5-3-2-4-6-11/h2-9H,14H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine?
3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine has a molecular weight of 239.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 71040961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).