N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

C22H23ClN4O4S — CID 50751774

IUPACN-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)[nH]n2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H23ClN4O4S/c1-31-20-9-6-16(12-21(20)32(29,30)27-10-2-3-11-27)18-13-19(26-25-18)22(28)24-14-15-4-7-17(23)8-5-15/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyDBUBIFCNSUZNBV-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.45
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 50751774) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID50751774
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)[nH]n2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H23ClN4O4S/c1-31-20-9-6-16(12-21(20)32(29,30)27-10-2-3-11-27)18-13-19(26-25-18)22(28)24-14-15-4-7-17(23)8-5-15/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyDBUBIFCNSUZNBV-UHFFFAOYSA-N
XLogP3.45
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 46270303
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751820
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50751822
3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 50751661
[3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 50751693
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 50751622
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 92647820
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261543
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide (CID 50751774) is N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)[nH]n2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DBUBIFCNSUZNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-31-20-9-6-16(12-21(20)32(29,30)27-10-2-3-11-27)18-13-19(26-25-18)22(28)24-14-15-4-7-17(23)8-5-15/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 474.97 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).