N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide

C21H28N4O — CID 91841564

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(C)n(C2CCN(CCC(=O)Nc3ccc4c(c3)CCC4)C2)n1
InChIInChI=1S/C21H28N4O/c1-15-12-16(2)25(23-15)20-8-10-24(14-20)11-9-21(26)22-19-7-6-17-4-3-5-18(17)13-19/h6-7,12-13,20H,3-5,8-11,14H2,1-2H3,(H,22,26)
InChIKeyCWIOXBSVBVVYKL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.26
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide (PubChem CID 91841564) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide
PubChem CID91841564
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(C)n(C2CCN(CCC(=O)Nc3ccc4c(c3)CCC4)C2)n1
InChIInChI=1S/C21H28N4O/c1-15-12-16(2)25(23-15)20-8-10-24(14-20)11-9-21(26)22-19-7-6-17-4-3-5-18(17)13-19/h6-7,12-13,20H,3-5,8-11,14H2,1-2H3,(H,22,26)
InChIKeyCWIOXBSVBVVYKL-UHFFFAOYSA-N
XLogP3.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanoylamino]thiophene-2-carboxylic acid
CID 124751915
3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 124847400
3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 50958038
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 91833281
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81492316
N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525559
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 91838658
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride
CID 119933929
N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47547962
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 124758101

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide (CID 91841564) is N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide is Cc1cc(C)n(C2CCN(CCC(=O)Nc3ccc4c(c3)CCC4)C2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is CWIOXBSVBVVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-12-16(2)25(23-15)20-8-10-24(14-20)11-9-21(26)22-19-7-6-17-4-3-5-18(17)13-19/h6-7,12-13,20H,3-5,8-11,14H2,1-2H3,(H,22,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 91841564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).