(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C20H24N6O — CID 92588153

IUPAC(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1nn(C)c(C(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)c1C
InChIInChI=1S/C20H24N6O/c1-4-16-13(2)19(25(3)24-16)20(27)26-11-5-6-17(26)18-15(12-22-23-18)14-7-9-21-10-8-14/h7-10,12,17H,4-6,11H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyQZHYKYPQSWRNQI-QGZVFWFLSA-N
MW364.45 g/mol
LogP3.05
Rot. Bonds4

About (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 92588153) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID92588153
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1nn(C)c(C(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)c1C
InChIInChI=1S/C20H24N6O/c1-4-16-13(2)19(25(3)24-16)20(27)26-11-5-6-17(26)18-15(12-22-23-18)14-7-9-21-10-8-14/h7-10,12,17H,4-6,11H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyQZHYKYPQSWRNQI-QGZVFWFLSA-N
XLogP3.05
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557662
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 92588318
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
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(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
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(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 92588153) is (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is CCc1nn(C)c(C(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)c1C.
What is the InChIKey of (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QZHYKYPQSWRNQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-16-13(2)19(25(3)24-16)20(27)26-11-5-6-17(26)18-15(12-22-23-18)14-7-9-21-10-8-14/h7-10,12,17H,4-6,11H2,1-3H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92588153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).