1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea

C22H24FN5O4S — CID 166322668

IUPAC1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C22H24FN5O4S/c1-32-20-9-8-17(33(30,31)28-10-3-2-4-11-28)13-19(20)24-22(29)25-21-14-18(26-27-21)15-6-5-7-16(23)12-15/h5-9,12-14H,2-4,10-11H2,1H3,(H3,24,25,26,27,29)
InChIKeyUQCWYVZBIHROMZ-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.04
Rot. Bonds6

About 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea

1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea (PubChem CID 166322668) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea
PubChem CID166322668
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC Name1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C22H24FN5O4S/c1-32-20-9-8-17(33(30,31)28-10-3-2-4-11-28)13-19(20)24-22(29)25-21-14-18(26-27-21)15-6-5-7-16(23)12-15/h5-9,12-14H,2-4,10-11H2,1H3,(H3,24,25,26,27,29)
InChIKeyUQCWYVZBIHROMZ-UHFFFAOYSA-N
XLogP4.04
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea 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

3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide
CID 167968577
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide
CID 43069054
4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 24636041
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
(E)-3-(4-fluorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 30393885
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 38010315
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea (CID 166322668) is 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea?
The InChIKey is UQCWYVZBIHROMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c1-32-20-9-8-17(33(30,31)28-10-3-2-4-11-28)13-19(20)24-22(29)25-21-14-18(26-27-21)15-6-5-7-16(23)12-15/h5-9,12-14H,2-4,10-11H2,1H3,(H3,24,25,26,27,29).
What are the key properties of 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea?
1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea has a molecular weight of 473.53 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 166322668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).