1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C22H25N7O2 — CID 3230219

IUPAC1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C22H25N7O2/c1-15(2)16-5-7-18(8-6-16)25-22(31)28-13-3-4-20(28)21(30)24-17-9-11-19(12-10-17)29-14-23-26-27-29/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyMTUMMMKQUSCMQL-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.42
Rot. Bonds5

About 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3230219) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3230219
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C22H25N7O2/c1-15(2)16-5-7-18(8-6-16)25-22(31)28-13-3-4-20(28)21(30)24-17-9-11-19(12-10-17)29-14-23-26-27-29/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyMTUMMMKQUSCMQL-UHFFFAOYSA-N
XLogP3.42
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-{4-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]phenyl}butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895840
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 4847095
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216697
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216701
1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 654097
2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 1439317
Pyrrolidine-1,2-dicarboxylic acid 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide] 1-p-tolylamide
CID 3219768
2-Acetylamino-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-3-o-tolyl-propionamide
CID 3232519
N-(4-isopropylphenyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-piperidinamine
CID 24818921
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 44332921
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-tetrazol-1-yl-benzyl)-acetamide
CID 44333068
[(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone
CID 44443313

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 3230219) is 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is CC(C)c1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is MTUMMMKQUSCMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-15(2)16-5-7-18(8-6-16)25-22(31)28-13-3-4-20(28)21(30)24-17-9-11-19(12-10-17)29-14-23-26-27-29/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).