3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide

C18H22N4O2 — CID 16925475

IUPAC3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H22N4O2/c1-3-22-12-15(18(21-22)24-4-2)17(23)19-10-9-13-11-20-16-8-6-5-7-14(13)16/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeySHOVMDOAVMVXGC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds7

About 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide

3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 16925475) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID16925475
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H22N4O2/c1-3-22-12-15(18(21-22)24-4-2)17(23)19-10-9-13-11-20-16-8-6-5-7-14(13)16/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeySHOVMDOAVMVXGC-UHFFFAOYSA-N
XLogP2.76
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
CID 16925716
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 29239688
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110853376

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide (CID 16925475) is 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide is CCOc1nn(CC)cc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is SHOVMDOAVMVXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-22-12-15(18(21-22)24-4-2)17(23)19-10-9-13-11-20-16-8-6-5-7-14(13)16/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,19,23).
What are the key properties of 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide?
3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16925475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).