2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine

C17H21N5O — CID 78427295

IUPAC2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine
SMILESCc1cc(OCc2cc(C)nn2-c2ccccc2)n(CCN)n1
InChIInChI=1S/C17H21N5O/c1-13-10-16(22(20-13)15-6-4-3-5-7-15)12-23-17-11-14(2)19-21(17)9-8-18/h3-7,10-11H,8-9,12,18H2,1-2H3
InChIKeyVGXVHGJVCBIRIB-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.22
Rot. Bonds6

About 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine

2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine (PubChem CID 78427295) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine
PubChem CID78427295
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine
SMILESCc1cc(OCc2cc(C)nn2-c2ccccc2)n(CCN)n1
InChIInChI=1S/C17H21N5O/c1-13-10-16(22(20-13)15-6-4-3-5-7-15)12-23-17-11-14(2)19-21(17)9-8-18/h3-7,10-11H,8-9,12,18H2,1-2H3
InChIKeyVGXVHGJVCBIRIB-UHFFFAOYSA-N
XLogP2.22
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine (CID 78427295) is 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine is Cc1cc(OCc2cc(C)nn2-c2ccccc2)n(CCN)n1.
What is the InChIKey of 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine?
The InChIKey is VGXVHGJVCBIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-10-16(22(20-13)15-6-4-3-5-7-15)12-23-17-11-14(2)19-21(17)9-8-18/h3-7,10-11H,8-9,12,18H2,1-2H3.
What are the key properties of 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine?
2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine has a molecular weight of 311.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 78427295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).