5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine

C17H19ClN6 — CID 25230632

IUPAC5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine
SMILESCCNc1ncc(Nc2ccc(Cl)cc2)nc1-n1nc(C)cc1C
InChIInChI=1S/C17H19ClN6/c1-4-19-16-17(24-12(3)9-11(2)23-24)22-15(10-20-16)21-14-7-5-13(18)6-8-14/h5-10H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyONMSNGPQECXNIP-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.11
Rot. Bonds5

About 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine

5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine (PubChem CID 25230632) has the molecular formula C17H19ClN6 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine
PubChem CID25230632
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine
SMILESCCNc1ncc(Nc2ccc(Cl)cc2)nc1-n1nc(C)cc1C
InChIInChI=1S/C17H19ClN6/c1-4-19-16-17(24-12(3)9-11(2)23-24)22-15(10-20-16)21-14-7-5-13(18)6-8-14/h5-10H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyONMSNGPQECXNIP-UHFFFAOYSA-N
XLogP4.11
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine?
The IUPAC name of 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine (CID 25230632) is 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine.
What is the SMILES notation for 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine?
The canonical SMILES for 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine is CCNc1ncc(Nc2ccc(Cl)cc2)nc1-n1nc(C)cc1C.
What is the InChIKey of 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine?
The InChIKey is ONMSNGPQECXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6/c1-4-19-16-17(24-12(3)9-11(2)23-24)22-15(10-20-16)21-14-7-5-13(18)6-8-14/h5-10H,4H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine?
5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine has a molecular weight of 342.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine is sourced from PubChem (CID 25230632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).