3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide

C20H21N5OS — CID 46983716

IUPAC3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CNCc2cn[nH]c2-c2cccs2)c2ccccc21
InChIInChI=1S/C20H21N5OS/c21-19(26)7-8-25-13-15(16-4-1-2-5-17(16)25)11-22-10-14-12-23-24-20(14)18-6-3-9-27-18/h1-6,9,12-13,22H,7-8,10-11H2,(H2,21,26)(H,23,24)
InChIKeyBFOUVBTYIPPSTA-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.26
Rot. Bonds8

About 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide

3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide (PubChem CID 46983716) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide
PubChem CID46983716
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CNCc2cn[nH]c2-c2cccs2)c2ccccc21
InChIInChI=1S/C20H21N5OS/c21-19(26)7-8-25-13-15(16-4-1-2-5-17(16)25)11-22-10-14-12-23-24-20(14)18-6-3-9-27-18/h1-6,9,12-13,22H,7-8,10-11H2,(H2,21,26)(H,23,24)
InChIKeyBFOUVBTYIPPSTA-UHFFFAOYSA-N
XLogP3.26
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide with MolForge

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Related Compounds

4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
CID 60863763
2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43783591
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233210
3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
CID 46987148
N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
CID 86776335
3-phenyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233141
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233196
3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
CID 46985288
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide
CID 50980648

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide (CID 46983716) is 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide is NC(=O)CCn1cc(CNCc2cn[nH]c2-c2cccs2)c2ccccc21.
What is the InChIKey of 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide?
The InChIKey is BFOUVBTYIPPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c21-19(26)7-8-25-13-15(16-4-1-2-5-17(16)25)11-22-10-14-12-23-24-20(14)18-6-3-9-27-18/h1-6,9,12-13,22H,7-8,10-11H2,(H2,21,26)(H,23,24).
What are the key properties of 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide?
3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide has a molecular weight of 379.49 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 46983716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).