1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide

C21H20N8O2 — CID 86970759

IUPAC1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1
InChIInChI=1S/C21H20N8O2/c1-14-24-26-27-29(14)19(13-15-5-3-2-4-6-15)21(31)23-16-7-9-17(10-8-16)28-12-11-18(25-28)20(22)30/h2-12,19H,13H2,1H3,(H2,22,30)(H,23,31)
InChIKeyKLXUYAARSZMPCP-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.69
Rot. Bonds7

About 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide

1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 86970759) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide
PubChem CID86970759
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1
InChIInChI=1S/C21H20N8O2/c1-14-24-26-27-29(14)19(13-15-5-3-2-4-6-15)21(31)23-16-7-9-17(10-8-16)28-12-11-18(25-28)20(22)30/h2-12,19H,13H2,1H3,(H2,22,30)(H,23,31)
InChIKeyKLXUYAARSZMPCP-UHFFFAOYSA-N
XLogP1.69
TPSA133.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970770
2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230638
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
CID 119642838
1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 56507284
(2S)-2-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]hexanoic acid
CID 120614831
2-benzyl-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 56507407
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 111561044
1-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 56507280
1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide
CID 168608349
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55785267
3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55739350

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide (CID 86970759) is 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide is Cc1nnnn1C(Cc1ccccc1)C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1.
What is the InChIKey of 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is KLXUYAARSZMPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-14-24-26-27-29(14)19(13-15-5-3-2-4-6-15)21(31)23-16-7-9-17(10-8-16)28-12-11-18(25-28)20(22)30/h2-12,19H,13H2,1H3,(H2,22,30)(H,23,31).
What are the key properties of 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide?
1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86970759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).