4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide

C22H24N4O3 — CID 46475860

IUPAC4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C22H24N4O3/c1-14(2)21(27)23-16-11-10-15(3)18(12-16)24-22(28)20-19(29-4)13-26(25-20)17-8-6-5-7-9-17/h5-14H,1-4H3,(H,23,27)(H,24,28)
InChIKeyYJJKGYCKQIFSPE-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.04
Rot. Bonds6

About 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide

4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 46475860) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID46475860
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C22H24N4O3/c1-14(2)21(27)23-16-11-10-15(3)18(12-16)24-22(28)20-19(29-4)13-26(25-20)17-8-6-5-7-9-17/h5-14H,1-4H3,(H,23,27)(H,24,28)
InChIKeyYJJKGYCKQIFSPE-UHFFFAOYSA-N
XLogP4.04
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703470
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27844853
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992073
4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-1-phenylpyrazole-3-carboxamide
CID 167751714
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide (CID 46475860) is 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(NC(=O)C(C)C)ccc1C.
What is the InChIKey of 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is YJJKGYCKQIFSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)21(27)23-16-11-10-15(3)18(12-16)24-22(28)20-19(29-4)13-26(25-20)17-8-6-5-7-9-17/h5-14H,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 46475860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).