N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide

C18H22N4O — CID 19331006

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
SMILESCCn1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H22N4O/c1-2-22-11-10-15(21-22)13-20-18(23)9-5-6-14-12-19-17-8-4-3-7-16(14)17/h3-4,7-8,10-12,19H,2,5-6,9,13H2,1H3,(H,20,23)
InChIKeyPTYOVTLBOZSCEZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.02
Rot. Bonds7

About N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide

N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 19331006) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
PubChem CID19331006
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
SMILESCCn1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H22N4O/c1-2-22-11-10-15(21-22)13-20-18(23)9-5-6-14-12-19-17-8-4-3-7-16(14)17/h3-4,7-8,10-12,19H,2,5-6,9,13H2,1H3,(H,20,23)
InChIKeyPTYOVTLBOZSCEZ-UHFFFAOYSA-N
XLogP3.02
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19330998
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19322988
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 19462809
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide (CID 19331006) is N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide is CCn1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is PTYOVTLBOZSCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-22-11-10-15(21-22)13-20-18(23)9-5-6-14-12-19-17-8-4-3-7-16(14)17/h3-4,7-8,10-12,19H,2,5-6,9,13H2,1H3,(H,20,23).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide?
N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 310.40 g/mol, XLogP of 3.02, 7 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]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 19331006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).