N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide

C21H20N4O3 — CID 39964656

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C21H20N4O3/c1-14(26)24-11-10-15-12-16(8-9-18(15)24)22-21(27)20-19(28-2)13-25(23-20)17-6-4-3-5-7-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,27)
InChIKeyUNFNXJOXOSGPAQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.04
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 39964656) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID39964656
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C21H20N4O3/c1-14(26)24-11-10-15-12-16(8-9-18(15)24)22-21(27)20-19(28-2)13-25(23-20)17-6-4-3-5-7-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,27)
InChIKeyUNFNXJOXOSGPAQ-UHFFFAOYSA-N
XLogP3.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24587001
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 26706083
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 46475860
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112803447
N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide
CID 17453567
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
CID 35187739

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 39964656) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is UNFNXJOXOSGPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(26)24-11-10-15-12-16(8-9-18(15)24)22-21(27)20-19(28-2)13-25(23-20)17-6-4-3-5-7-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 39964656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).