methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate

C14H15N3O5 — CID 118714303

IUPACmethyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H15N3O5/c1-20-9-5-4-6-10(21-2)11(9)13(18)16-8-7-15-17-12(8)14(19)22-3/h4-7H,1-3H3,(H,15,17)(H,16,18)
InChIKeyPTYRPMRTFPBESU-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.47
Rot. Bonds5

About methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate

methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate (PubChem CID 118714303) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate
PubChem CID118714303
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Namemethyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H15N3O5/c1-20-9-5-4-6-10(21-2)11(9)13(18)16-8-7-15-17-12(8)14(19)22-3/h4-7H,1-3H3,(H,15,17)(H,16,18)
InChIKeyPTYRPMRTFPBESU-UHFFFAOYSA-N
XLogP1.47
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate (CID 118714303) is methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1NC(=O)c1c(OC)cccc1OC.
What is the InChIKey of methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate?
The InChIKey is PTYRPMRTFPBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-20-9-5-4-6-10(21-2)11(9)13(18)16-8-7-15-17-12(8)14(19)22-3/h4-7H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate?
methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 118714303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).