1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide

C22H23ClN4O3 — CID 37438164

IUPAC1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1
InChIInChI=1S/C22H23ClN4O3/c1-14(2)21-19(12-24-27(21)18-9-4-6-15(23)10-18)22(29)26-17-8-5-7-16(11-17)25-20(28)13-30-3/h4-12,14H,13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyWIVKNTNHTIFYHH-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.49
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 37438164) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID37438164
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1
InChIInChI=1S/C22H23ClN4O3/c1-14(2)21-19(12-24-27(21)18-9-4-6-15(23)10-18)22(29)26-17-8-5-7-16(11-17)25-20(28)13-30-3/h4-12,14H,13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyWIVKNTNHTIFYHH-UHFFFAOYSA-N
XLogP4.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
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methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
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N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 123777570
N-[1-(3-acetamidophenyl)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46581987
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 37438164) is 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide is COCC(=O)Nc1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is WIVKNTNHTIFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-14(2)21-19(12-24-27(21)18-9-4-6-15(23)10-18)22(29)26-17-8-5-7-16(11-17)25-20(28)13-30-3/h4-12,14H,13H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 37438164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).