N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide

C25H21N7O4 — CID 19336564

IUPACN-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2c(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cnn2C)cnn1C
InChIInChI=1S/C25H21N7O4/c1-14-19(12-26-30(14)2)28-23(34)21-20(13-27-31(21)3)29-22(33)15-7-6-8-16(11-15)32-24(35)17-9-4-5-10-18(17)25(32)36/h4-13H,1-3H3,(H,28,34)(H,29,33)
InChIKeyOLGGQCZPXCXWKV-UHFFFAOYSA-N
MW483.49 g/mol
LogP2.77
Rot. Bonds5

About N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide (PubChem CID 19336564) has the molecular formula C25H21N7O4 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide
PubChem CID19336564
Molecular FormulaC25H21N7O4
Molecular Weight483.49 g/mol
Exact Mass483.17
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2c(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cnn2C)cnn1C
InChIInChI=1S/C25H21N7O4/c1-14-19(12-26-30(14)2)28-23(34)21-20(13-27-31(21)3)29-22(33)15-7-6-8-16(11-15)32-24(35)17-9-4-5-10-18(17)25(32)36/h4-13H,1-3H3,(H,28,34)(H,29,33)
InChIKeyOLGGQCZPXCXWKV-UHFFFAOYSA-N
XLogP2.77
TPSA131.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398057
N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 1271171
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(4-methyl-3-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19336553
4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336622
2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 19177394
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
2-[4-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504744
4-[(3-cyanobenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339750
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346328
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19338646

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide (CID 19336564) is N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide is Cc1c(NC(=O)c2c(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cnn2C)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is OLGGQCZPXCXWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O4/c1-14-19(12-26-30(14)2)28-23(34)21-20(13-27-31(21)3)29-22(33)15-7-6-8-16(11-15)32-24(35)17-9-4-5-10-18(17)25(32)36/h4-13H,1-3H3,(H,28,34)(H,29,33).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19336564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).