5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine

C14H13N5 — CID 72868725

IUPAC5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
SMILESCc1ccc(-c2cnc(N)cn2)c(-n2cccn2)c1
InChIInChI=1S/C14H13N5/c1-10-3-4-11(12-8-17-14(15)9-16-12)13(7-10)19-6-2-5-18-19/h2-9H,1H3,(H2,15,17)
InChIKeyITIOJLZMLQIFMF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds2

About 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine

5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine (PubChem CID 72868725) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
PubChem CID72868725
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
SMILESCc1ccc(-c2cnc(N)cn2)c(-n2cccn2)c1
InChIInChI=1S/C14H13N5/c1-10-3-4-11(12-8-17-14(15)9-16-12)13(7-10)19-6-2-5-18-19/h2-9H,1H3,(H2,15,17)
InChIKeyITIOJLZMLQIFMF-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine?
The IUPAC name of 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine (CID 72868725) is 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine is Cc1ccc(-c2cnc(N)cn2)c(-n2cccn2)c1.
What is the InChIKey of 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine?
The InChIKey is ITIOJLZMLQIFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-10-3-4-11(12-8-17-14(15)9-16-12)13(7-10)19-6-2-5-18-19/h2-9H,1H3,(H2,15,17).
What are the key properties of 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine?
5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine is sourced from PubChem (CID 72868725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).