N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine

C15H15N5 — CID 153384050

IUPACN-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine
SMILESCc1cnn(-c2ccc(CNc3cnccn3)cc2)c1
InChIInChI=1S/C15H15N5/c1-12-8-19-20(11-12)14-4-2-13(3-5-14)9-18-15-10-16-6-7-17-15/h2-8,10-11H,9H2,1H3,(H,17,18)
InChIKeyAGPVAFWYNPZQPG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds4

About N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine

N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine (PubChem CID 153384050) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine
PubChem CID153384050
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine
SMILESCc1cnn(-c2ccc(CNc3cnccn3)cc2)c1
InChIInChI=1S/C15H15N5/c1-12-8-19-20(11-12)14-4-2-13(3-5-14)9-18-15-10-16-6-7-17-15/h2-8,10-11H,9H2,1H3,(H,17,18)
InChIKeyAGPVAFWYNPZQPG-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine (CID 153384050) is N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine is Cc1cnn(-c2ccc(CNc3cnccn3)cc2)c1.
What is the InChIKey of N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine?
The InChIKey is AGPVAFWYNPZQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-12-8-19-20(11-12)14-4-2-13(3-5-14)9-18-15-10-16-6-7-17-15/h2-8,10-11H,9H2,1H3,(H,17,18).
What are the key properties of N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine?
N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 153384050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).