5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide

C23H32N6O2 — CID 166390052

IUPAC5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)N2CCCC2CN(C)C(=O)c2ccc(C#N)[nH]2)cnn1CCC(C)C
InChIInChI=1S/C23H32N6O2/c1-5-21-19(14-25-29(21)12-10-16(2)3)22(30)28-11-6-7-18(28)15-27(4)23(31)20-9-8-17(13-24)26-20/h8-9,14,16,18,26H,5-7,10-12,15H2,1-4H3
InChIKeyAAPAYORLDGUFPY-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.07
Rot. Bonds8

About 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide

5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 166390052) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID166390052
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)N2CCCC2CN(C)C(=O)c2ccc(C#N)[nH]2)cnn1CCC(C)C
InChIInChI=1S/C23H32N6O2/c1-5-21-19(14-25-29(21)12-10-16(2)3)22(30)28-11-6-7-18(28)15-27(4)23(31)20-9-8-17(13-24)26-20/h8-9,14,16,18,26H,5-7,10-12,15H2,1-4H3
InChIKeyAAPAYORLDGUFPY-UHFFFAOYSA-N
XLogP3.07
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 110226329
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885886
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone
CID 124733378
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 109477654
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72887191
N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide
CID 167755789
2-(2-butylpyrrolidine-1-carbonyl)benzonitrile
CID 91784458
4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 79304547
(3-amino-4-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 105069899
(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79547117
[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103122402
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 62889270

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 166390052) is 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)N2CCCC2CN(C)C(=O)c2ccc(C#N)[nH]2)cnn1CCC(C)C.
What is the InChIKey of 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is AAPAYORLDGUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-5-21-19(14-25-29(21)12-10-16(2)3)22(30)28-11-6-7-18(28)15-27(4)23(31)20-9-8-17(13-24)26-20/h8-9,14,16,18,26H,5-7,10-12,15H2,1-4H3.
What are the key properties of 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[[1-[5-ethyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166390052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).