3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide

C20H20N4O2 — CID 71938365

IUPAC3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cn3cccn3)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H20N4O2/c1-13-18-16(4-2-5-17(18)25)23-19(13)20(26)22-15-8-6-14(7-9-15)12-24-11-3-10-21-24/h3,6-11,23H,2,4-5,12H2,1H3,(H,22,26)
InChIKeyMKWJPJJQFDFTHU-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.34
Rot. Bonds4

About 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 71938365) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID71938365
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cn3cccn3)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H20N4O2/c1-13-18-16(4-2-5-17(18)25)23-19(13)20(26)22-15-8-6-14(7-9-15)12-24-11-3-10-21-24/h3,6-11,23H,2,4-5,12H2,1H3,(H,22,26)
InChIKeyMKWJPJJQFDFTHU-UHFFFAOYSA-N
XLogP3.34
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31011246
N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24536546
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720
3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 49497131
N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37345240
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55840479
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55846959
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
3-methyl-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47009313
N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934045

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide (CID 71938365) is 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)Nc2ccc(Cn3cccn3)cc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is MKWJPJJQFDFTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-18-16(4-2-5-17(18)25)23-19(13)20(26)22-15-8-6-14(7-9-15)12-24-11-3-10-21-24/h3,6-11,23H,2,4-5,12H2,1H3,(H,22,26).
What are the key properties of 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 71938365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).