3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide

C27H28N4O2S — CID 24687472

IUPAC3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C27H28N4O2S/c1-20-7-5-8-21(17-20)26-23(19-31(29-26)22-9-3-2-4-10-22)27(32)28-18-24(25-11-6-16-34-25)30-12-14-33-15-13-30/h2-11,16-17,19,24H,12-15,18H2,1H3,(H,28,32)
InChIKeyREYDNBSACZJAEG-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.71
Rot. Bonds7

About 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide

3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24687472) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID24687472
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC Name3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C27H28N4O2S/c1-20-7-5-8-21(17-20)26-23(19-31(29-26)22-9-3-2-4-10-22)27(32)28-18-24(25-11-6-16-34-25)30-12-14-33-15-13-30/h2-11,16-17,19,24H,12-15,18H2,1H3,(H,28,32)
InChIKeyREYDNBSACZJAEG-UHFFFAOYSA-N
XLogP4.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N-[2-(morpholin-4-yl)ethyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 17469911
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
CID 25664616
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 45736384
N-(2-methoxyethyl)-5-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
CID 69921013
N-(2-methoxyethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
CID 69921357

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide (CID 24687472) is 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide is Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is REYDNBSACZJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-20-7-5-8-21(17-20)26-23(19-31(29-26)22-9-3-2-4-10-22)27(32)28-18-24(25-11-6-16-34-25)30-12-14-33-15-13-30/h2-11,16-17,19,24H,12-15,18H2,1H3,(H,28,32).
What are the key properties of 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide?
3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24687472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).