2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide

C13H14N6O — CID 115290057

IUPAC2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2cccc3[nH]ncc23)cn1
InChIInChI=1S/C13H14N6O/c1-19-7-8(5-16-19)12(14)13(20)17-10-3-2-4-11-9(10)6-15-18-11/h2-7,12H,14H2,1H3,(H,15,18)(H,17,20)
InChIKeyZEBYHUKMEALPRX-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.93
Rot. Bonds3

About 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290057) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290057
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2cccc3[nH]ncc23)cn1
InChIInChI=1S/C13H14N6O/c1-19-7-8(5-16-19)12(14)13(20)17-10-3-2-4-11-9(10)6-15-18-11/h2-7,12H,14H2,1H3,(H,15,18)(H,17,20)
InChIKeyZEBYHUKMEALPRX-UHFFFAOYSA-N
XLogP0.93
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115290057) is 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)Nc2cccc3[nH]ncc23)cn1.
What is the InChIKey of 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is ZEBYHUKMEALPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-19-7-8(5-16-19)12(14)13(20)17-10-3-2-4-11-9(10)6-15-18-11/h2-7,12H,14H2,1H3,(H,15,18)(H,17,20).
What are the key properties of 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 270.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).