1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea

C16H23N5O3S — CID 47090322

IUPAC1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea
SMILESCc1cnn(CCCNC(=O)NCCS(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H23N5O3S/c1-14-12-19-21(13-14)10-5-8-17-16(22)18-9-11-25(23,24)20-15-6-3-2-4-7-15/h2-4,6-7,12-13,20H,5,8-11H2,1H3,(H2,17,18,22)
InChIKeyRKENXZXNSINKTG-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.32
Rot. Bonds9

About 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea

1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea (PubChem CID 47090322) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea
PubChem CID47090322
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea
SMILESCc1cnn(CCCNC(=O)NCCS(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H23N5O3S/c1-14-12-19-21(13-14)10-5-8-17-16(22)18-9-11-25(23,24)20-15-6-3-2-4-7-15/h2-4,6-7,12-13,20H,5,8-11H2,1H3,(H2,17,18,22)
InChIKeyRKENXZXNSINKTG-UHFFFAOYSA-N
XLogP1.32
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
N-{4-[3-(1H-Pyrazol-4-ylmethyl)-ureido]-phenyl}-benzenesulfonamide
CID 135222882
US11452717, Example 342
CID 135224500
N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide
CID 22204152
N-[3-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
CID 36340914
2-(carbamoylamino)-4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 45805587
1-Propyl-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 45821662
3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 47039313
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 47083103
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
CID 47812992
1-[[1-(2,4-Difluorophenyl)pyrazol-4-yl]methyl]-3-ethylurea
CID 49633479
1-{3-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]propyl}-1,3-dihydro-2H-imidazol-2-one
CID 50973893

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea?
The IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea (CID 47090322) is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea.
What is the SMILES notation for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea?
The canonical SMILES for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea is Cc1cnn(CCCNC(=O)NCCS(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea?
The InChIKey is RKENXZXNSINKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-14-12-19-21(13-14)10-5-8-17-16(22)18-9-11-25(23,24)20-15-6-3-2-4-7-15/h2-4,6-7,12-13,20H,5,8-11H2,1H3,(H2,17,18,22).
What are the key properties of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea?
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea has a molecular weight of 365.46 g/mol, XLogP of 1.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea is sourced from PubChem (CID 47090322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).