4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C25H25N5O4 — CID 19402528

IUPAC4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C25H25N5O4/c1-4-29-14-20(21(28-29)23(32)26-13-15(2)3)27-22(31)16-8-7-9-17(12-16)30-24(33)18-10-5-6-11-19(18)25(30)34/h5-12,14-15H,4,13H2,1-3H3,(H,26,32)(H,27,31)
InChIKeyAAXBWFDMFDBTBF-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.34
Rot. Bonds7

About 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19402528) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19402528
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C25H25N5O4/c1-4-29-14-20(21(28-29)23(32)26-13-15(2)3)27-22(31)16-8-7-9-17(12-16)30-24(33)18-10-5-6-11-19(18)25(30)34/h5-12,14-15H,4,13H2,1-3H3,(H,26,32)(H,27,31)
InChIKeyAAXBWFDMFDBTBF-UHFFFAOYSA-N
XLogP3.34
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
CID 4168644
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400423
4-[[3-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402628
1-ethyl-4-[(4-methoxy-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402551
1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514654
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448033
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402564
4-[3-(benzenesulfonyl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19584135
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19402672
4-(butylcarbamoylamino)-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448031
3-(1,3-dioxoisoindol-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1192525
2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362327

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19402528) is 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is AAXBWFDMFDBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-4-29-14-20(21(28-29)23(32)26-13-15(2)3)27-22(31)16-8-7-9-17(12-16)30-24(33)18-10-5-6-11-19(18)25(30)34/h5-12,14-15H,4,13H2,1-3H3,(H,26,32)(H,27,31).
What are the key properties of 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19402528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).