4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide

C25H29N3OS — CID 24863965

IUPAC4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1csc2ccccc12
InChIInChI=1S/C25H29N3OS/c1-4-5-14-22-20(21-17-30-23-15-10-9-13-19(21)23)16-28(27-22)24(29)26-25(2,3)18-11-7-6-8-12-18/h6-13,15,17,20H,4-5,14,16H2,1-3H3,(H,26,29)
InChIKeyQSUGCLJTVMXHHM-UHFFFAOYSA-N
MW419.59 g/mol
LogP6.49
Rot. Bonds6

About 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide

4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24863965) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID24863965
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC Name4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1csc2ccccc12
InChIInChI=1S/C25H29N3OS/c1-4-5-14-22-20(21-17-30-23-15-10-9-13-19(21)23)16-28(27-22)24(29)26-25(2,3)18-11-7-6-8-12-18/h6-13,15,17,20H,4-5,14,16H2,1-3H3,(H,26,29)
InChIKeyQSUGCLJTVMXHHM-UHFFFAOYSA-N
XLogP6.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide with MolForge

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Related Compounds

5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
CID 24862715
5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24862710
N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 24863614
N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 58899482
5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carbonyl chloride
CID 58899460
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71189214
N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide
CID 112836983
5-pentyl-4-phenyl-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 157413579
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358
1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carbothioamide
CID 86274399
3-[1-benzothiophen-3-ylmethyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 138045748
2-phenylpropan-2-ylcarbamic acid
CID 23445609

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide (CID 24863965) is 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide is CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is QSUGCLJTVMXHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-4-5-14-22-20(21-17-30-23-15-10-9-13-19(21)23)16-28(27-22)24(29)26-25(2,3)18-11-7-6-8-12-18/h6-13,15,17,20H,4-5,14,16H2,1-3H3,(H,26,29).
What are the key properties of 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24863965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).