N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C17H22ClN5O2 — CID 126794752

IUPACN-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)N1CCCC1c1nncn1C
InChIInChI=1S/C17H22ClN5O2/c1-3-9-25-15-7-6-12(18)10-13(15)20-17(24)23-8-4-5-14(23)16-21-19-11-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,20,24)
InChIKeyNUSAMKUTTKQXEB-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.63
Rot. Bonds5

About N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 126794752) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID126794752
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC NameN-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)N1CCCC1c1nncn1C
InChIInChI=1S/C17H22ClN5O2/c1-3-9-25-15-7-6-12(18)10-13(15)20-17(24)23-8-4-5-14(23)16-21-19-11-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,20,24)
InChIKeyNUSAMKUTTKQXEB-UHFFFAOYSA-N
XLogP3.63
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126776643
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126788566
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124886177
1-[(5-chloro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102124
N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87010188
4-chloro-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 71905447
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
2-(1-aminocyclobutyl)-N-(5-chloro-2-propoxyphenyl)acetamide
CID 79854161
(2S)-N-[(2S)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735946
4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65354625

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 126794752) is N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is CCCOc1ccc(Cl)cc1NC(=O)N1CCCC1c1nncn1C.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is NUSAMKUTTKQXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-3-9-25-15-7-6-12(18)10-13(15)20-17(24)23-8-4-5-14(23)16-21-19-11-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,20,24).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126794752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).