ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate

C29H36N4O3 — CID 46090724

IUPACethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C(=O)NC(C)CCCN(CC)CC)cc2)c2c1Cc1ccccc1-2
InChIInChI=1S/C29H36N4O3/c1-5-32(6-2)18-10-11-20(4)30-28(34)21-14-16-23(17-15-21)33-27-24-13-9-8-12-22(24)19-25(27)26(31-33)29(35)36-7-3/h8-9,12-17,20H,5-7,10-11,18-19H2,1-4H3,(H,30,34)
InChIKeyOEQXWZJBTWTPKW-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.86
Rot. Bonds11

About ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate

ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate (PubChem CID 46090724) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate
PubChem CID46090724
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Nameethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C(=O)NC(C)CCCN(CC)CC)cc2)c2c1Cc1ccccc1-2
InChIInChI=1S/C29H36N4O3/c1-5-32(6-2)18-10-11-20(4)30-28(34)21-14-16-23(17-15-21)33-27-24-13-9-8-12-22(24)19-25(27)26(31-33)29(35)36-7-3/h8-9,12-17,20H,5-7,10-11,18-19H2,1-4H3,(H,30,34)
InChIKeyOEQXWZJBTWTPKW-UHFFFAOYSA-N
XLogP4.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-(hydroxymethyl)-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 54461559
4-(1H-benzimidazol-2-ylmethyl)-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 16759221
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
6-amino-N-[5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 62153221
5-O-tert-butyl 3-O-ethyl 1-phenyl-4H-indeno[2,1-d]pyrazole-3,5-dicarboxylate
CID 67787723
4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 24708648
ethyl 5-tert-butyl-1-[4-[[(2S)-4-phenylbutan-2-yl]carbamoyl]phenyl]pyrazole-3-carboxylate
CID 92768930
ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46403241
6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
ethyl 5-(3,4-dimethylphenyl)-1-[4-[[(2S)-4-phenylbutan-2-yl]carbamoyl]phenyl]pyrazole-3-carboxylate
CID 92820206
1-(4-aminosulfanylperoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carbohydrazide
CID 21092638
N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46092656

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate (CID 46090724) is ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(C(=O)NC(C)CCCN(CC)CC)cc2)c2c1Cc1ccccc1-2.
What is the InChIKey of ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate?
The InChIKey is OEQXWZJBTWTPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-5-32(6-2)18-10-11-20(4)30-28(34)21-14-16-23(17-15-21)33-27-24-13-9-8-12-22(24)19-25(27)26(31-33)29(35)36-7-3/h8-9,12-17,20H,5-7,10-11,18-19H2,1-4H3,(H,30,34).
What are the key properties of ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate?
ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate has a molecular weight of 488.63 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-4H-indeno[2,1-d]pyrazole-3-carboxylate is sourced from PubChem (CID 46090724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).