1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H22N4O — CID 95978425

IUPAC1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C19H22N4O/c1-12-18(13(2)22(3)21-12)17-5-4-10-23(17)19(24)15-7-6-14-8-9-20-16(14)11-15/h6-9,11,17,20H,4-5,10H2,1-3H3/t17-/m0/s1
InChIKeyJRQHHTXAWPDKPY-KRWDZBQOSA-N
MW322.41 g/mol
LogP3.50
Rot. Bonds2

About 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95978425) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95978425
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C19H22N4O/c1-12-18(13(2)22(3)21-12)17-5-4-10-23(17)19(24)15-7-6-14-8-9-20-16(14)11-15/h6-9,11,17,20H,4-5,10H2,1-3H3/t17-/m0/s1
InChIKeyJRQHHTXAWPDKPY-KRWDZBQOSA-N
XLogP3.50
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrahydronaphthalen-2-yl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124547432
2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978320
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735701
1-benzofuran-2-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978326
1,6-dimethyl-3-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 95735764
(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
(5-chloro-2-pyridinyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136526675
2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95978425) is 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JRQHHTXAWPDKPY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-18(13(2)22(3)21-12)17-5-4-10-23(17)19(24)15-7-6-14-8-9-20-16(14)11-15/h6-9,11,17,20H,4-5,10H2,1-3H3/t17-/m0/s1.
What are the key properties of 1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 3.50, 2 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-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95978425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).