N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C22H25N5O3S — CID 112834593

IUPACN-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C22H25N5O3S/c28-22(19-15-18(24-25-19)21-2-1-13-31-21)23-17-4-3-16(26-5-9-29-10-6-26)14-20(17)27-7-11-30-12-8-27/h1-4,13-15H,5-12H2,(H,23,28)(H,24,25)
InChIKeyICUAKANNNQAAMM-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.06
Rot. Bonds5

About N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 112834593) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID112834593
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C22H25N5O3S/c28-22(19-15-18(24-25-19)21-2-1-13-31-21)23-17-4-3-16(26-5-9-29-10-6-26)14-20(17)27-7-11-30-12-8-27/h1-4,13-15H,5-12H2,(H,23,28)(H,24,25)
InChIKeyICUAKANNNQAAMM-UHFFFAOYSA-N
XLogP3.06
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-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

N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 112807335
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509273
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791101
N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78901118
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627594
N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121141691
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90544954

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 112834593) is N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ICUAKANNNQAAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c28-22(19-15-18(24-25-19)21-2-1-13-31-21)23-17-4-3-16(26-5-9-29-10-6-26)14-20(17)27-7-11-30-12-8-27/h1-4,13-15H,5-12H2,(H,23,28)(H,24,25).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112834593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).