N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine

C16H17N5 — CID 156751979

IUPACN-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine
SMILESCc1ccccc1CCc1cc(Nc2cnccn2)n[nH]1
InChIInChI=1S/C16H17N5/c1-12-4-2-3-5-13(12)6-7-14-10-15(21-20-14)19-16-11-17-8-9-18-16/h2-5,8-11H,6-7H2,1H3,(H2,18,19,20,21)
InChIKeyZKZYNBQTXAEIKF-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.04
Rot. Bonds5

About N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine

N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine (PubChem CID 156751979) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine
PubChem CID156751979
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine
SMILESCc1ccccc1CCc1cc(Nc2cnccn2)n[nH]1
InChIInChI=1S/C16H17N5/c1-12-4-2-3-5-13(12)6-7-14-10-15(21-20-14)19-16-11-17-8-9-18-16/h2-5,8-11H,6-7H2,1H3,(H2,18,19,20,21)
InChIKeyZKZYNBQTXAEIKF-UHFFFAOYSA-N
XLogP3.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine?
The IUPAC name of N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine (CID 156751979) is N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine?
The canonical SMILES for N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine is Cc1ccccc1CCc1cc(Nc2cnccn2)n[nH]1.
What is the InChIKey of N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine?
The InChIKey is ZKZYNBQTXAEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-4-2-3-5-13(12)6-7-14-10-15(21-20-14)19-16-11-17-8-9-18-16/h2-5,8-11H,6-7H2,1H3,(H2,18,19,20,21).
What are the key properties of N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine?
N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine has a molecular weight of 279.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine is sourced from PubChem (CID 156751979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).