methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate

C15H16ClN3O4 — CID 95749032

IUPACmethyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)c(C)nn1C
InChIInChI=1S/C15H16ClN3O4/c1-8-12(13(15(21)23-4)19(2)18-8)17-14(20)10-7-9(16)5-6-11(10)22-3/h5-7H,1-4H3,(H,17,20)
InChIKeyRTQWNWNAPBTSRW-UHFFFAOYSA-N
MW337.76 g/mol
LogP2.43
Rot. Bonds4

About methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate

methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 95749032) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
PubChem CID95749032
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Namemethyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)c(C)nn1C
InChIInChI=1S/C15H16ClN3O4/c1-8-12(13(15(21)23-4)19(2)18-8)17-14(20)10-7-9(16)5-6-11(10)22-3/h5-7H,1-4H3,(H,17,20)
InChIKeyRTQWNWNAPBTSRW-UHFFFAOYSA-N
XLogP2.43
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749035
5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
CID 19341336
4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7715367
methyl 4-[(2-iodobenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749120
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
5-chloro-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
CID 19408223
5-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 19346674
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
methyl 4-[2-(3-chlorophenoxy)propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
CID 110280784
methyl 1,3-dimethyl-4-[(2,3,4,5,6-pentafluorobenzoyl)amino]pyrazole-5-carboxylate
CID 95749126

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate (CID 95749032) is methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)c(C)nn1C.
What is the InChIKey of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is RTQWNWNAPBTSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-8-12(13(15(21)23-4)19(2)18-8)17-14(20)10-7-9(16)5-6-11(10)22-3/h5-7H,1-4H3,(H,17,20).
What are the key properties of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 337.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 95749032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).