1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C17H18N4O — CID 95343101

IUPAC1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C17H18N4O/c22-17(14-5-4-13-6-8-18-16(13)11-14)21-10-1-3-15(21)12-20-9-2-7-19-20/h2,4-9,11,15,18H,1,3,10,12H2/t15-/m0/s1
InChIKeyXAZVZINLWWYZEF-HNNXBMFYSA-N
MW294.36 g/mol
LogP2.67
Rot. Bonds3

About 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95343101) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95343101
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C17H18N4O/c22-17(14-5-4-13-6-8-18-16(13)11-14)21-10-1-3-15(21)12-20-9-2-7-19-20/h2,4-9,11,15,18H,1,3,10,12H2/t15-/m0/s1
InChIKeyXAZVZINLWWYZEF-HNNXBMFYSA-N
XLogP2.67
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 95330074
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95343101) is 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XAZVZINLWWYZEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(14-5-4-13-6-8-18-16(13)11-14)21-10-1-3-15(21)12-20-9-2-7-19-20/h2,4-9,11,15,18H,1,3,10,12H2/t15-/m0/s1.
What are the key properties of 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 294.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95343101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).