N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C17H21N7O — CID 96518938

IUPACN-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCC[C@@H](C)c1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n[nH]1
InChIInChI=1S/C17H21N7O/c1-3-4-12(2)15-10-16(21-20-15)19-17(25)9-13-5-7-14(8-6-13)24-11-18-22-23-24/h5-8,10-12H,3-4,9H2,1-2H3,(H2,19,20,21,25)/t12-/m1/s1
InChIKeyXAGGLZPPYHXATL-GFCCVEGCSA-N
MW339.40 g/mol
LogP2.47
Rot. Bonds7

About N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 96518938) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID96518938
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCC[C@@H](C)c1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n[nH]1
InChIInChI=1S/C17H21N7O/c1-3-4-12(2)15-10-16(21-20-15)19-17(25)9-13-5-7-14(8-6-13)24-11-18-22-23-24/h5-8,10-12H,3-4,9H2,1-2H3,(H2,19,20,21,25)/t12-/m1/s1
InChIKeyXAGGLZPPYHXATL-GFCCVEGCSA-N
XLogP2.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95637470
N-[2-(2-methylpropoxy)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55887932
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600753
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600412
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91954160
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630981
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78862634
N-(9-ethylcarbazol-3-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52576497

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 96518938) is N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is CCC[C@@H](C)c1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n[nH]1.
What is the InChIKey of N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is XAGGLZPPYHXATL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N7O/c1-3-4-12(2)15-10-16(21-20-15)19-17(25)9-13-5-7-14(8-6-13)24-11-18-22-23-24/h5-8,10-12H,3-4,9H2,1-2H3,(H2,19,20,21,25)/t12-/m1/s1.
What are the key properties of N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 96518938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).