N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide

C22H22N4O4 — CID 176501109

IUPACN-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide
SMILESCOc1cc(C(=O)NC2CC2)cc(NC(=O)c2ccccc2-n2cccn2)c1OC
InChIInChI=1S/C22H22N4O4/c1-29-19-13-14(21(27)24-15-8-9-15)12-17(20(19)30-2)25-22(28)16-6-3-4-7-18(16)26-11-5-10-23-26/h3-7,10-13,15H,8-9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXBZBLGFGVFPPRB-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.03
Rot. Bonds7

About N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide

N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide (PubChem CID 176501109) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide
PubChem CID176501109
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide
SMILESCOc1cc(C(=O)NC2CC2)cc(NC(=O)c2ccccc2-n2cccn2)c1OC
InChIInChI=1S/C22H22N4O4/c1-29-19-13-14(21(27)24-15-8-9-15)12-17(20(19)30-2)25-22(28)16-6-3-4-7-18(16)26-11-5-10-23-26/h3-7,10-13,15H,8-9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXBZBLGFGVFPPRB-UHFFFAOYSA-N
XLogP3.03
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide (CID 176501109) is N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide is COc1cc(C(=O)NC2CC2)cc(NC(=O)c2ccccc2-n2cccn2)c1OC.
What is the InChIKey of N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide?
The InChIKey is XBZBLGFGVFPPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-29-19-13-14(21(27)24-15-8-9-15)12-17(20(19)30-2)25-22(28)16-6-3-4-7-18(16)26-11-5-10-23-26/h3-7,10-13,15H,8-9H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide?
N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide has a molecular weight of 406.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide is sourced from PubChem (CID 176501109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).