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

C16H19N7O2 — CID 146021420

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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Related Compounds

2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8852353
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 146021962
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217

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).