4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide

C18H19ClN4O4 — CID 157020406

IUPAC4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide
SMILESCOc1cc(-c2cc(NC(=O)c3cc(Cl)cn3C)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H19ClN4O4/c1-23-9-11(19)7-13(23)18(24)20-16-8-12(21-22-16)10-5-14(25-2)17(27-4)15(6-10)26-3/h5-9H,1-4H3,(H2,20,21,22,24)
InChIKeyFOZUJJYCJATXQJ-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.35
Rot. Bonds6

About 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide

4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide (PubChem CID 157020406) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide
PubChem CID157020406
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Name4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide
SMILESCOc1cc(-c2cc(NC(=O)c3cc(Cl)cn3C)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H19ClN4O4/c1-23-9-11(19)7-13(23)18(24)20-16-8-12(21-22-16)10-5-14(25-2)17(27-4)15(6-10)26-3/h5-9H,1-4H3,(H2,20,21,22,24)
InChIKeyFOZUJJYCJATXQJ-UHFFFAOYSA-N
XLogP3.35
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide (CID 157020406) is 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide is COc1cc(-c2cc(NC(=O)c3cc(Cl)cn3C)n[nH]2)cc(OC)c1OC.
What is the InChIKey of 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide?
The InChIKey is FOZUJJYCJATXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c1-23-9-11(19)7-13(23)18(24)20-16-8-12(21-22-16)10-5-14(25-2)17(27-4)15(6-10)26-3/h5-9H,1-4H3,(H2,20,21,22,24).
What are the key properties of 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide?
4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 157020406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).