N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C20H24N4O — CID 46261613

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H24N4O/c25-20(14-24-13-16-6-2-1-3-8-18(16)23-24)21-11-10-15-12-22-19-9-5-4-7-17(15)19/h4-5,7,9,12-13,22H,1-3,6,8,10-11,14H2,(H,21,25)
InChIKeySRVDARQUXAWLTQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 46261613) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID46261613
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H24N4O/c25-20(14-24-13-16-6-2-1-3-8-18(16)23-24)21-11-10-15-12-22-19-9-5-4-7-17(15)19/h4-5,7,9,12-13,22H,1-3,6,8,10-11,14H2,(H,21,25)
InChIKeySRVDARQUXAWLTQ-UHFFFAOYSA-N
XLogP2.99
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 20892457
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528878
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064179
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768453
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 41130447
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 46261613) is N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCCC2)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is SRVDARQUXAWLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(14-24-13-16-6-2-1-3-8-18(16)23-24)21-11-10-15-12-22-19-9-5-4-7-17(15)19/h4-5,7,9,12-13,22H,1-3,6,8,10-11,14H2,(H,21,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 46261613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).