1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide

C17H24N6O — CID 172695926

IUPAC1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCC(C)(C)N1CCCC1C(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H24N6O/c1-4-17(2,3)23-11-5-6-14(23)16(24)18-13-9-7-12(8-10-13)15-19-21-22-20-15/h7-10,14H,4-6,11H2,1-3H3,(H,18,24)(H,19,20,21,22)
InChIKeyCHYRKLMFTULMKH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.46
Rot. Bonds5

About 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide

1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 172695926) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID172695926
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCC(C)(C)N1CCCC1C(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H24N6O/c1-4-17(2,3)23-11-5-6-14(23)16(24)18-13-9-7-12(8-10-13)15-19-21-22-20-15/h7-10,14H,4-6,11H2,1-3H3,(H,18,24)(H,19,20,21,22)
InChIKeyCHYRKLMFTULMKH-UHFFFAOYSA-N
XLogP2.46
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 122137912
N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 172678771
(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118089714
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 120566139
N-[4-(1H-imidazol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60613372
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-propanoylpiperidine-2-carboxamide
CID 120566427
1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119312969
[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
CID 126424546
N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide (CID 172695926) is 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide is CCC(C)(C)N1CCCC1C(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CHYRKLMFTULMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-4-17(2,3)23-11-5-6-14(23)16(24)18-13-9-7-12(8-10-13)15-19-21-22-20-15/h7-10,14H,4-6,11H2,1-3H3,(H,18,24)(H,19,20,21,22).
What are the key properties of 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 172695926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).