N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide

C12H9F2N7O — CID 75377049

IUPACN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cc(-c2c(F)cccc2F)[nH]n1
InChIInChI=1S/C12H9F2N7O/c13-7-2-1-3-8(14)12(7)9-4-10(18-17-9)16-11(22)5-21-6-15-19-20-21/h1-4,6H,5H2,(H2,16,17,18,22)
InChIKeyMNGXXCNYRBLZAQ-UHFFFAOYSA-N
MW305.25 g/mol
LogP0.98
Rot. Bonds4

About N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide

N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 75377049) has the molecular formula C12H9F2N7O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID75377049
Molecular FormulaC12H9F2N7O
Molecular Weight305.25 g/mol
Exact Mass305.08
IUPAC NameN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cc(-c2c(F)cccc2F)[nH]n1
InChIInChI=1S/C12H9F2N7O/c13-7-2-1-3-8(14)12(7)9-4-10(18-17-9)16-11(22)5-21-6-15-19-20-21/h1-4,6H,5H2,(H2,16,17,18,22)
InChIKeyMNGXXCNYRBLZAQ-UHFFFAOYSA-N
XLogP0.98
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 28739859
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide
CID 17470876
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide
CID 116784723
2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide
CID 670449
N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide
CID 52712978
ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94660700
N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 52896191

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide (CID 75377049) is N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1cc(-c2c(F)cccc2F)[nH]n1.
What is the InChIKey of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is MNGXXCNYRBLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N7O/c13-7-2-1-3-8(14)12(7)9-4-10(18-17-9)16-11(22)5-21-6-15-19-20-21/h1-4,6H,5H2,(H2,16,17,18,22).
What are the key properties of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide?
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 305.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 75377049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).