1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea

C17H17N5O3S — CID 55909410

IUPAC1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C17H17N5O3S/c18-26(24,25)15-3-1-2-14(10-15)21-17(23)19-11-12-4-6-13(7-5-12)16-8-9-20-22-16/h1-10H,11H2,(H,20,22)(H2,18,24,25)(H2,19,21,23)
InChIKeyFUHQZNDZWWLOHD-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.05
Rot. Bonds5

About 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea

1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea (PubChem CID 55909410) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
PubChem CID55909410
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C17H17N5O3S/c18-26(24,25)15-3-1-2-14(10-15)21-17(23)19-11-12-4-6-13(7-5-12)16-8-9-20-22-16/h1-10H,11H2,(H,20,22)(H2,18,24,25)(H2,19,21,23)
InChIKeyFUHQZNDZWWLOHD-UHFFFAOYSA-N
XLogP2.05
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 55809331
2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
CID 55840948
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 166180390
1-[3-(benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231284
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 111112930
3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43662319
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
3-[(4-methoxyphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108868131
1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 167748185
1-[(4-methoxyphenyl)methyl]-3-(3-sulfamoylphenyl)thiourea
CID 8620377

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea (CID 55909410) is 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea is NS(=O)(=O)c1cccc(NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea?
The InChIKey is FUHQZNDZWWLOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c18-26(24,25)15-3-1-2-14(10-15)21-17(23)19-11-12-4-6-13(7-5-12)16-8-9-20-22-16/h1-10H,11H2,(H,20,22)(H2,18,24,25)(H2,19,21,23).
What are the key properties of 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea?
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea has a molecular weight of 371.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 55909410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).