2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide

C19H21ClN4O2 — CID 154841269

IUPAC2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CN(C(=O)c2cnn3c2CCC3)c2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN4O2/c1-22(2)18(25)8-12-11-23(16-6-5-13(20)9-14(12)16)19(26)15-10-21-24-7-3-4-17(15)24/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyKDAWQRGIKZCQNI-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.70
Rot. Bonds3

About 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide

2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide (PubChem CID 154841269) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
PubChem CID154841269
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CN(C(=O)c2cnn3c2CCC3)c2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN4O2/c1-22(2)18(25)8-12-11-23(16-6-5-13(20)9-14(12)16)19(26)15-10-21-24-7-3-4-17(15)24/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyKDAWQRGIKZCQNI-UHFFFAOYSA-N
XLogP2.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
CID 167961399
2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
CID 167973633
2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-5-chloro-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide;hydrochloride
CID 120794293
(3-chlorophenyl)-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 86267031
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 154843973
[5-chloro-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
CID 57196473
2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82625253
1-[(3R)-5-chloro-3-(2,2,2-trifluoroethyl)-2,3-dihydroindol-1-yl]-2,2,2-trifluoroethanone
CID 155088871
2-chloro-N-[4-[7-chloro-5-[2-(methylamino)-2-oxoethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]benzamide
CID 19958378
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 118139533
[5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone
CID 128880805
[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 136545627

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide (CID 154841269) is 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CN(C(=O)c2cnn3c2CCC3)c2ccc(Cl)cc21.
What is the InChIKey of 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The InChIKey is KDAWQRGIKZCQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-22(2)18(25)8-12-11-23(16-6-5-13(20)9-14(12)16)19(26)15-10-21-24-7-3-4-17(15)24/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide has a molecular weight of 372.86 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 154841269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).