1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

C23H29N5O2 — CID 3493358

IUPAC1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N(CCc1c[nH]c2ccccc12)Cc1cc(C)nn1C
InChIInChI=1S/C23H29N5O2/c1-16-13-19(26(3)25-16)15-27(23(30)22-9-6-11-28(22)17(2)29)12-10-18-14-24-21-8-5-4-7-20(18)21/h4-5,7-8,13-14,22,24H,6,9-12,15H2,1-3H3
InChIKeyWCNGHZGFABRMTR-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.79
Rot. Bonds6

About 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 3493358) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID3493358
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N(CCc1c[nH]c2ccccc12)Cc1cc(C)nn1C
InChIInChI=1S/C23H29N5O2/c1-16-13-19(26(3)25-16)15-27(23(30)22-9-6-11-28(22)17(2)29)12-10-18-14-24-21-8-5-4-7-20(18)21/h4-5,7-8,13-14,22,24H,6,9-12,15H2,1-3H3
InChIKeyWCNGHZGFABRMTR-UHFFFAOYSA-N
XLogP2.79
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide
CID 154200437
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 92638511
1-[(3aS,9aR)-1-acetyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110136219
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
[(1R)-1-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]phosphonic acid
CID 11227124
ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
CID 171080006
propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate
CID 171080037
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide
CID 154386184

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 3493358) is 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)N(CCc1c[nH]c2ccccc12)Cc1cc(C)nn1C.
What is the InChIKey of 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is WCNGHZGFABRMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-13-19(26(3)25-16)15-27(23(30)22-9-6-11-28(22)17(2)29)12-10-18-14-24-21-8-5-4-7-20(18)21/h4-5,7-8,13-14,22,24H,6,9-12,15H2,1-3H3.
What are the key properties of 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3493358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).