6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine

C17H18N6O2 — CID 133283995

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCCc3ccc([N+](=O)[O-])cc3)n2)n1
InChIInChI=1S/C17H18N6O2/c1-12-9-13(2)22(21-12)17-11-18-10-16(20-17)19-8-7-14-3-5-15(6-4-14)23(24)25/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyYJTBOHZHMIQYTH-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.84
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine (PubChem CID 133283995) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine
PubChem CID133283995
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCCc3ccc([N+](=O)[O-])cc3)n2)n1
InChIInChI=1S/C17H18N6O2/c1-12-9-13(2)22(21-12)17-11-18-10-16(20-17)19-8-7-14-3-5-15(6-4-14)23(24)25/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyYJTBOHZHMIQYTH-UHFFFAOYSA-N
XLogP2.84
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
CID 133285009
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133426347
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133347496
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284460
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 133283577
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 133273965
N-[2-(3,4-difluorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133291797

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine (CID 133283995) is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCCc3ccc([N+](=O)[O-])cc3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine?
The InChIKey is YJTBOHZHMIQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12-9-13(2)22(21-12)17-11-18-10-16(20-17)19-8-7-14-3-5-15(6-4-14)23(24)25/h3-6,9-11H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine has a molecular weight of 338.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 133283995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).