N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide

C20H26N4O3 — CID 138031568

IUPACN-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCOc1cc(C(=O)N2CCCC2CNC(=O)c2cnn(C)c2)ccc1C
InChIInChI=1S/C20H26N4O3/c1-4-27-18-10-15(8-7-14(18)2)20(26)24-9-5-6-17(24)12-21-19(25)16-11-22-23(3)13-16/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3,(H,21,25)
InChIKeyZQMIBPKLQJEROS-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.16
Rot. Bonds6

About N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 138031568) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID138031568
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCOc1cc(C(=O)N2CCCC2CNC(=O)c2cnn(C)c2)ccc1C
InChIInChI=1S/C20H26N4O3/c1-4-27-18-10-15(8-7-14(18)2)20(26)24-9-5-6-17(24)12-21-19(25)16-11-22-23(3)13-16/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3,(H,21,25)
InChIKeyZQMIBPKLQJEROS-UHFFFAOYSA-N
XLogP2.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-4-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484301
2-[1-(4-fluoro-3-methoxybenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435113
(4-butoxy-3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650400
(3-ethoxy-4-propoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650979
N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126837770
(4-butoxy-3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650399
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 167976334
N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 52845992
(3-methoxy-4-methylphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291169
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 63396194
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 138031568) is N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide is CCOc1cc(C(=O)N2CCCC2CNC(=O)c2cnn(C)c2)ccc1C.
What is the InChIKey of N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZQMIBPKLQJEROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-27-18-10-15(8-7-14(18)2)20(26)24-9-5-6-17(24)12-21-19(25)16-11-22-23(3)13-16/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3,(H,21,25).
What are the key properties of N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 138031568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).