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2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide

C16H19N7O2 — CID 146021420

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1nn(CCO)c(C)c1CC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H19N7O2/c1-11-15(12(2)22(19-11)6-7-24)9-16(25)18-13-4-3-5-14(8-13)23-10-17-20-21-23/h3-5,8,10,24H,6-7,9H2,1-2H3,(H,18,25)
InChIKeyHOGLEVAJUKMVOJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.65
Rot. Bonds6

About 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide

2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 146021420) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID146021420
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1nn(CCO)c(C)c1CC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H19N7O2/c1-11-15(12(2)22(19-11)6-7-24)9-16(25)18-13-4-3-5-14(8-13)23-10-17-20-21-23/h3-5,8,10,24H,6-7,9H2,1-2H3,(H,18,25)
InChIKeyHOGLEVAJUKMVOJ-UHFFFAOYSA-N
XLogP0.65
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide (CID 146021420) is 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide is Cc1nn(CCO)c(C)c1CC(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is HOGLEVAJUKMVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-11-15(12(2)22(19-11)6-7-24)9-16(25)18-13-4-3-5-14(8-13)23-10-17-20-21-23/h3-5,8,10,24H,6-7,9H2,1-2H3,(H,18,25).
What are the key properties of 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide?
2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 341.38 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 146021420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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