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

C17H20N6O — CID 91770336

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H20N6O/c1-10-15(11(2)21-20-10)16(18)17(24)19-9-13-8-14(23-22-13)12-6-4-3-5-7-12/h3-8,16H,9,18H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeySCQFGITUQHMFLL-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.73
Rot. Bonds5

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

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 91770336) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID91770336
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H20N6O/c1-10-15(11(2)21-20-10)16(18)17(24)19-9-13-8-14(23-22-13)12-6-4-3-5-7-12/h3-8,16H,9,18H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeySCQFGITUQHMFLL-UHFFFAOYSA-N
XLogP1.73
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide (CID 91770336) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is SCQFGITUQHMFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10-15(11(2)21-20-10)16(18)17(24)19-9-13-8-14(23-22-13)12-6-4-3-5-7-12/h3-8,16H,9,18H2,1-2H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91770336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).