N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine

C15H13Cl2N5 — CID 47053113

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1cncc(-n2cccn2)n1
InChIInChI=1S/C15H13Cl2N5/c1-21(10-11-3-4-12(16)13(17)7-11)14-8-18-9-15(20-14)22-6-2-5-19-22/h2-9H,10H2,1H3
InChIKeyVVZQZYFPAKJCCZ-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.61
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine

N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine (PubChem CID 47053113) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
PubChem CID47053113
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1cncc(-n2cccn2)n1
InChIInChI=1S/C15H13Cl2N5/c1-21(10-11-3-4-12(16)13(17)7-11)14-8-18-9-15(20-14)22-6-2-5-19-22/h2-9H,10H2,1H3
InChIKeyVVZQZYFPAKJCCZ-UHFFFAOYSA-N
XLogP3.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine (CID 47053113) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine is CN(Cc1ccc(Cl)c(Cl)c1)c1cncc(-n2cccn2)n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine?
The InChIKey is VVZQZYFPAKJCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-21(10-11-3-4-12(16)13(17)7-11)14-8-18-9-15(20-14)22-6-2-5-19-22/h2-9H,10H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine has a molecular weight of 334.21 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 47053113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).