3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide

C21H23N5O5S — CID 50751822

IUPAC3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccnc3)[nH]n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N5O5S/c1-30-19-5-4-16(11-20(19)32(28,29)26-7-9-31-10-8-26)17-12-18(25-24-17)21(27)23-14-15-3-2-6-22-13-15/h2-6,11-13H,7-10,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyMVRLFRFXOJLTMS-UHFFFAOYSA-N
MW457.51 g/mol
LogP1.43
Rot. Bonds7

About 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide

3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 50751822) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID50751822
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC Name3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccnc3)[nH]n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N5O5S/c1-30-19-5-4-16(11-20(19)32(28,29)26-7-9-31-10-8-26)17-12-18(25-24-17)21(27)23-14-15-3-2-6-22-13-15/h2-6,11-13H,7-10,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyMVRLFRFXOJLTMS-UHFFFAOYSA-N
XLogP1.43
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-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-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751774
N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 46270303
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 50751622
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 166191085
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798
3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 50751661
4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46469585
N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18104587
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 126392756
(3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 126392758

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide (CID 50751822) is 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccnc3)[nH]n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MVRLFRFXOJLTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-30-19-5-4-16(11-20(19)32(28,29)26-7-9-31-10-8-26)17-12-18(25-24-17)21(27)23-14-15-3-2-6-22-13-15/h2-6,11-13H,7-10,14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).