[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone

C20H24N4O — CID 95605939

IUPAC[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1cc(C)n(C[C@H]2CCCN2C(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C20H24N4O/c1-13-11-14(2)24(22-13)12-16-7-6-10-23(16)20(25)19-15(3)21-18-9-5-4-8-17(18)19/h4-5,8-9,11,16,21H,6-7,10,12H2,1-3H3/t16-/m1/s1
InChIKeyDCQLTLPWYMMVJU-MRXNPFEDSA-N
MW336.44 g/mol
LogP3.59
Rot. Bonds3

About [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone

[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 95605939) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
PubChem CID95605939
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1cc(C)n(C[C@H]2CCCN2C(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C20H24N4O/c1-13-11-14(2)24(22-13)12-16-7-6-10-23(16)20(25)19-15(3)21-18-9-5-4-8-17(18)19/h4-5,8-9,11,16,21H,6-7,10,12H2,1-3H3/t16-/m1/s1
InChIKeyDCQLTLPWYMMVJU-MRXNPFEDSA-N
XLogP3.59
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 56779569
5-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 95350716
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95606018
1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605865
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 95605903
(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922406

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone (CID 95605939) is [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone is Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2c(C)[nH]c3ccccc23)n1.
What is the InChIKey of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is DCQLTLPWYMMVJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-11-14(2)24(22-13)12-16-7-6-10-23(16)20(25)19-15(3)21-18-9-5-4-8-17(18)19/h4-5,8-9,11,16,21H,6-7,10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone?
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 95605939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).