2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide

C13H20N6O — CID 86285496

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCCc1ccnn1C
InChIInChI=1S/C13H20N6O/c1-8-11(9(2)18-17-8)12(14)13(20)15-6-4-10-5-7-16-19(10)3/h5,7,12H,4,6,14H2,1-3H3,(H,15,20)(H,17,18)
InChIKeyBUBBNFFNEXUECR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.12
Rot. Bonds5

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 86285496) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID86285496
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCCc1ccnn1C
InChIInChI=1S/C13H20N6O/c1-8-11(9(2)18-17-8)12(14)13(20)15-6-4-10-5-7-16-19(10)3/h5,7,12H,4,6,14H2,1-3H3,(H,15,20)(H,17,18)
InChIKeyBUBBNFFNEXUECR-UHFFFAOYSA-N
XLogP0.12
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide (CID 86285496) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCCc1ccnn1C.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is BUBBNFFNEXUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-8-11(9(2)18-17-8)12(14)13(20)15-6-4-10-5-7-16-19(10)3/h5,7,12H,4,6,14H2,1-3H3,(H,15,20)(H,17,18).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 86285496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).