1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide

C19H25N5O2 — CID 154841515

IUPAC1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)C1
InChIInChI=1S/C19H25N5O2/c1-4-16(25)24-10-9-13(11-24)19(26)20-15-8-6-5-7-14(15)18-21-17(12(2)3)22-23-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,26)(H,21,22,23)
InChIKeyKRAAOKGEEXJPQQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.79
Rot. Bonds5

About 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide

1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 154841515) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID154841515
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)C1
InChIInChI=1S/C19H25N5O2/c1-4-16(25)24-10-9-13(11-24)19(26)20-15-8-6-5-7-14(15)18-21-17(12(2)3)22-23-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,26)(H,21,22,23)
InChIKeyKRAAOKGEEXJPQQ-UHFFFAOYSA-N
XLogP2.79
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119737126
2-(cyclopropylmethylamino)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide;hydrochloride
CID 119737134
1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 60559874
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 56540098
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate
CID 56540066
N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetamide
CID 167839928
1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 51090865
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167791700
N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
CID 113008342
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 154841515) is 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is CCC(=O)N1CCC(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)C1.
What is the InChIKey of 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is KRAAOKGEEXJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-16(25)24-10-9-13(11-24)19(26)20-15-8-6-5-7-14(15)18-21-17(12(2)3)22-23-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,26)(H,21,22,23).
What are the key properties of 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154841515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).