[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone

C17H18N4O2 — CID 42529655

IUPAC[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCOCC1
InChIInChI=1S/C17H18N4O2/c22-17(20-7-9-23-10-8-20)15-11-14(18-19-15)12-21-6-5-13-3-1-2-4-16(13)21/h1-6,11H,7-10,12H2,(H,18,19)
InChIKeyKYEJAVKTPSVQGU-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.89
Rot. Bonds3

About [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone

[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 42529655) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID42529655
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCOCC1
InChIInChI=1S/C17H18N4O2/c22-17(20-7-9-23-10-8-20)15-11-14(18-19-15)12-21-6-5-13-3-1-2-4-16(13)21/h1-6,11H,7-10,12H2,(H,18,19)
InChIKeyKYEJAVKTPSVQGU-UHFFFAOYSA-N
XLogP1.89
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone (CID 42529655) is [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCOCC1.
What is the InChIKey of [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KYEJAVKTPSVQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17(20-7-9-23-10-8-20)15-11-14(18-19-15)12-21-6-5-13-3-1-2-4-16(13)21/h1-6,11H,7-10,12H2,(H,18,19).
What are the key properties of [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 310.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42529655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).