2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile

C19H19N5O — CID 95354686

IUPAC2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
SMILESN#CCn1c(C(=O)N2CCC[C@@H]2Cn2cccn2)cc2ccccc21
InChIInChI=1S/C19H19N5O/c20-8-12-24-17-7-2-1-5-15(17)13-18(24)19(25)23-11-3-6-16(23)14-22-10-4-9-21-22/h1-2,4-5,7,9-10,13,16H,3,6,11-12,14H2/t16-/m1/s1
InChIKeyBDBBNFPCJUERFZ-MRXNPFEDSA-N
MW333.39 g/mol
LogP2.67
Rot. Bonds4

About 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile

2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile (PubChem CID 95354686) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
PubChem CID95354686
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
SMILESN#CCn1c(C(=O)N2CCC[C@@H]2Cn2cccn2)cc2ccccc21
InChIInChI=1S/C19H19N5O/c20-8-12-24-17-7-2-1-5-15(17)13-18(24)19(25)23-11-3-6-16(23)14-22-10-4-9-21-22/h1-2,4-5,7,9-10,13,16H,3,6,11-12,14H2/t16-/m1/s1
InChIKeyBDBBNFPCJUERFZ-MRXNPFEDSA-N
XLogP2.67
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
CID 56779474
3-(2-methylindol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 46996733
3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95603596
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
(7-methyl-1-benzofuran-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95354054
1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779301
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344675
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344674
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile (CID 95354686) is 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile is N#CCn1c(C(=O)N2CCC[C@@H]2Cn2cccn2)cc2ccccc21.
What is the InChIKey of 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile?
The InChIKey is BDBBNFPCJUERFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N5O/c20-8-12-24-17-7-2-1-5-15(17)13-18(24)19(25)23-11-3-6-16(23)14-22-10-4-9-21-22/h1-2,4-5,7,9-10,13,16H,3,6,11-12,14H2/t16-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile?
2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile has a molecular weight of 333.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile is sourced from PubChem (CID 95354686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).