2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide

C19H22N4O2 — CID 129356151

IUPAC2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1cnn(C[C@@H]2CCCCO2)c1
InChIInChI=1S/C19H22N4O2/c24-19(9-14-10-20-18-7-2-1-6-17(14)18)22-15-11-21-23(12-15)13-16-5-3-4-8-25-16/h1-2,6-7,10-12,16,20H,3-5,8-9,13H2,(H,22,24)/t16-/m0/s1
InChIKeyUYVYLENNCCCYQP-INIZCTEOSA-N
MW338.41 g/mol
LogP3.11
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide

2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide (PubChem CID 129356151) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
PubChem CID129356151
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1cnn(C[C@@H]2CCCCO2)c1
InChIInChI=1S/C19H22N4O2/c24-19(9-14-10-20-18-7-2-1-6-17(14)18)22-15-11-21-23(12-15)13-16-5-3-4-8-25-16/h1-2,6-7,10-12,16,20H,3-5,8-9,13H2,(H,22,24)/t16-/m0/s1
InChIKeyUYVYLENNCCCYQP-INIZCTEOSA-N
XLogP3.11
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 119099720
2-(6-fluoro-1H-indol-3-yl)-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 95597083
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121016982
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide (CID 129356151) is 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1cnn(C[C@@H]2CCCCO2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The InChIKey is UYVYLENNCCCYQP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(9-14-10-20-18-7-2-1-6-17(14)18)22-15-11-21-23(12-15)13-16-5-3-4-8-25-16/h1-2,6-7,10-12,16,20H,3-5,8-9,13H2,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 129356151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).