5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine

C13H11N5 — CID 56718285

IUPAC5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccn[nH]3)cc2)cn1
InChIInChI=1S/C13H11N5/c14-13-8-15-12(7-16-13)10-3-1-9(2-4-10)11-5-6-17-18-11/h1-8H,(H2,14,16)(H,17,18)
InChIKeyVELRKCUCYJUZOP-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.12
Rot. Bonds2

About 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine

5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine (PubChem CID 56718285) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine
PubChem CID56718285
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccn[nH]3)cc2)cn1
InChIInChI=1S/C13H11N5/c14-13-8-15-12(7-16-13)10-3-1-9(2-4-10)11-5-6-17-18-11/h1-8H,(H2,14,16)(H,17,18)
InChIKeyVELRKCUCYJUZOP-UHFFFAOYSA-N
XLogP2.12
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine (CID 56718285) is 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccn[nH]3)cc2)cn1.
What is the InChIKey of 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine?
The InChIKey is VELRKCUCYJUZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-13-8-15-12(7-16-13)10-3-1-9(2-4-10)11-5-6-17-18-11/h1-8H,(H2,14,16)(H,17,18).
What are the key properties of 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine?
5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine has a molecular weight of 237.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrazol-5-yl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 56718285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).