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

C19H18N4OS — CID 50980648

IUPAC3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C19H18N4OS/c24-18(8-7-13-10-20-16-5-2-1-4-15(13)16)21-11-14-12-22-23-19(14)17-6-3-9-25-17/h1-6,9-10,12,20H,7-8,11H2,(H,21,24)(H,22,23)
InChIKeyLOXXKUAHECLGSD-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.87
Rot. Bonds6

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

3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 50980648) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID50980648
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C19H18N4OS/c24-18(8-7-13-10-20-16-5-2-1-4-15(13)16)21-11-14-12-22-23-19(14)17-6-3-9-25-17/h1-6,9-10,12,20H,7-8,11H2,(H,21,24)(H,22,23)
InChIKeyLOXXKUAHECLGSD-UHFFFAOYSA-N
XLogP3.87
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
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3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
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3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110412313
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3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide (CID 50980648) is 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is LOXXKUAHECLGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-18(8-7-13-10-20-16-5-2-1-4-15(13)16)21-11-14-12-22-23-19(14)17-6-3-9-25-17/h1-6,9-10,12,20H,7-8,11H2,(H,21,24)(H,22,23).
What are the key properties of 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide?
3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 350.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 50980648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).