2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide

C11H17N7O — CID 154801086

IUPAC2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide
SMILESCc1nn(C(C)C)c(C)c1CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C11H17N7O/c1-6(2)18-8(4)9(7(3)15-18)5-10(19)12-11-13-16-17-14-11/h6H,5H2,1-4H3,(H2,12,13,14,16,17,19)
InChIKeyGUNACAGDPJWUDB-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.78
Rot. Bonds4

About 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide

2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide (PubChem CID 154801086) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide
PubChem CID154801086
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide
SMILESCc1nn(C(C)C)c(C)c1CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C11H17N7O/c1-6(2)18-8(4)9(7(3)15-18)5-10(19)12-11-13-16-17-14-11/h6H,5H2,1-4H3,(H2,12,13,14,16,17,19)
InChIKeyGUNACAGDPJWUDB-UHFFFAOYSA-N
XLogP0.78
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide (CID 154801086) is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide is Cc1nn(C(C)C)c(C)c1CC(=O)Nc1nn[nH]n1.
What is the InChIKey of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide?
The InChIKey is GUNACAGDPJWUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-6(2)18-8(4)9(7(3)15-18)5-10(19)12-11-13-16-17-14-11/h6H,5H2,1-4H3,(H2,12,13,14,16,17,19).
What are the key properties of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide?
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide has a molecular weight of 263.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 154801086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).