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

C21H25N5O2 — CID 92628246

IUPAC[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cn(C)nc3C)n[nH]2)cc1
InChIInChI=1S/C21H25N5O2/c1-4-28-16-9-7-15(8-10-16)20-6-5-11-26(20)21(27)19-12-18(22-23-19)17-13-25(3)24-14(17)2/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyDSYFQMGLTCYFFX-HXUWFJFHSA-N
MW379.46 g/mol
LogP3.49
Rot. Bonds5

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

[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 92628246) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID92628246
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cn(C)nc3C)n[nH]2)cc1
InChIInChI=1S/C21H25N5O2/c1-4-28-16-9-7-15(8-10-16)20-6-5-11-26(20)21(27)19-12-18(22-23-19)17-13-25(3)24-14(17)2/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyDSYFQMGLTCYFFX-HXUWFJFHSA-N
XLogP3.49
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86911368
[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95317102
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 112806434
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39680391
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
[4-(diethylaminomethyl)phenyl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55667905
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone (CID 92628246) is [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone is CCOc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cn(C)nc3C)n[nH]2)cc1.
What is the InChIKey of [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is DSYFQMGLTCYFFX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-28-16-9-7-15(8-10-16)20-6-5-11-26(20)21(27)19-12-18(22-23-19)17-13-25(3)24-14(17)2/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,22,23)/t20-/m1/s1.
What are the key properties of [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92628246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).