N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide

C17H20N4O — CID 19330998

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESCCn1ccc(CNC(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C17H20N4O/c1-2-21-10-9-14(20-21)12-19-17(22)8-7-13-11-18-16-6-4-3-5-15(13)16/h3-6,9-11,18H,2,7-8,12H2,1H3,(H,19,22)
InChIKeyNUGKVGSDHXIZRE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.63
Rot. Bonds6

About N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide

N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 19330998) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID19330998
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESCCn1ccc(CNC(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C17H20N4O/c1-2-21-10-9-14(20-21)12-19-17(22)8-7-13-11-18-16-6-4-3-5-15(13)16/h3-6,9-11,18H,2,7-8,12H2,1H3,(H,19,22)
InChIKeyNUGKVGSDHXIZRE-UHFFFAOYSA-N
XLogP2.63
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19331006
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19296648
3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide
CID 91765313
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide (CID 19330998) is N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide is CCn1ccc(CNC(=O)CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is NUGKVGSDHXIZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-21-10-9-14(20-21)12-19-17(22)8-7-13-11-18-16-6-4-3-5-15(13)16/h3-6,9-11,18H,2,7-8,12H2,1H3,(H,19,22).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide?
N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 19330998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).