N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide

C24H32N4O2S — CID 40809148

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)N2CCCC2)cc1
InChIInChI=1S/C24H32N4O2S/c1-16(2)15-28-24-20(17(3)26-28)13-22(31-24)23(29)25-14-21(27-11-5-6-12-27)18-7-9-19(30-4)10-8-18/h7-10,13,16,21H,5-6,11-12,14-15H2,1-4H3,(H,25,29)/t21-/m1/s1
InChIKeyUMLNSEPBGBOSMB-OAQYLSRUSA-N
MW440.61 g/mol
LogP4.64
Rot. Bonds8

About N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 40809148) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID40809148
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)N2CCCC2)cc1
InChIInChI=1S/C24H32N4O2S/c1-16(2)15-28-24-20(17(3)26-28)13-22(31-24)23(29)25-14-21(27-11-5-6-12-27)18-7-9-19(30-4)10-8-18/h7-10,13,16,21H,5-6,11-12,14-15H2,1-4H3,(H,25,29)/t21-/m1/s1
InChIKeyUMLNSEPBGBOSMB-OAQYLSRUSA-N
XLogP4.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 43005379
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24544192
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 35578681
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
2,5-dichloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-3-carboxamide
CID 17494054
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 25441604
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088189
1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088187

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 40809148) is N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide is COc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is UMLNSEPBGBOSMB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-16(2)15-28-24-20(17(3)26-28)13-22(31-24)23(29)25-14-21(27-11-5-6-12-27)18-7-9-19(30-4)10-8-18/h7-10,13,16,21H,5-6,11-12,14-15H2,1-4H3,(H,25,29)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 40809148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).