N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

C18H20N4O3 — CID 167981131

IUPACN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCN1C(=O)Cc2cc(CNC(=O)c3cn[nH]c3C3CCOC3)ccc21
InChIInChI=1S/C18H20N4O3/c1-22-15-3-2-11(6-13(15)7-16(22)23)8-19-18(24)14-9-20-21-17(14)12-4-5-25-10-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyIWFDLTHXRAQJRE-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.36
Rot. Bonds4

About N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 167981131) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID167981131
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCN1C(=O)Cc2cc(CNC(=O)c3cn[nH]c3C3CCOC3)ccc21
InChIInChI=1S/C18H20N4O3/c1-22-15-3-2-11(6-13(15)7-16(22)23)8-19-18(24)14-9-20-21-17(14)12-4-5-25-10-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyIWFDLTHXRAQJRE-UHFFFAOYSA-N
XLogP1.36
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 128970509
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 128968081
N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472298
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 136533769
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129474098
N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129338521
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 126805182

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 167981131) is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is CN1C(=O)Cc2cc(CNC(=O)c3cn[nH]c3C3CCOC3)ccc21.
What is the InChIKey of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is IWFDLTHXRAQJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22-15-3-2-11(6-13(15)7-16(22)23)8-19-18(24)14-9-20-21-17(14)12-4-5-25-10-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167981131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).