2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile

C20H21N5O — CID 56779474

IUPAC2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
SMILESCc1cnn(CC2CCCN2C(=O)c2cc3ccccc3n2CC#N)c1
InChIInChI=1S/C20H21N5O/c1-15-12-22-23(13-15)14-17-6-4-9-24(17)20(26)19-11-16-5-2-3-7-18(16)25(19)10-8-21/h2-3,5,7,11-13,17H,4,6,9-10,14H2,1H3
InChIKeyLNKNMCNWORGBRH-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.97
Rot. Bonds4

About 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile

2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile (PubChem CID 56779474) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
PubChem CID56779474
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
SMILESCc1cnn(CC2CCCN2C(=O)c2cc3ccccc3n2CC#N)c1
InChIInChI=1S/C20H21N5O/c1-15-12-22-23(13-15)14-17-6-4-9-24(17)20(26)19-11-16-5-2-3-7-18(16)25(19)10-8-21/h2-3,5,7,11-13,17H,4,6,9-10,14H2,1H3
InChIKeyLNKNMCNWORGBRH-UHFFFAOYSA-N
XLogP2.97
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
CID 95354686
1-benzofuran-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351459
2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95350831
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 95605633
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95604014
1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779437
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95352253
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 95603426
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95319035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile (CID 56779474) is 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile is Cc1cnn(CC2CCCN2C(=O)c2cc3ccccc3n2CC#N)c1.
What is the InChIKey of 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile?
The InChIKey is LNKNMCNWORGBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15-12-22-23(13-15)14-17-6-4-9-24(17)20(26)19-11-16-5-2-3-7-18(16)25(19)10-8-21/h2-3,5,7,11-13,17H,4,6,9-10,14H2,1H3.
What are the key properties of 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile?
2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile has a molecular weight of 347.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile is sourced from PubChem (CID 56779474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).