2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea

C7H13N5O3S — CID 78994022

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
SMILESCc1[nH]ncc1S(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C7H13N5O3S/c1-5-6(4-10-12-5)16(14,15)11-3-2-9-7(8)13/h4,11H,2-3H2,1H3,(H,10,12)(H3,8,9,13)
InChIKeyDRLHFSNIUUHXMH-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.34
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea

2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea (PubChem CID 78994022) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
PubChem CID78994022
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
SMILESCc1[nH]ncc1S(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C7H13N5O3S/c1-5-6(4-10-12-5)16(14,15)11-3-2-9-7(8)13/h4,11H,2-3H2,1H3,(H,10,12)(H3,8,9,13)
InChIKeyDRLHFSNIUUHXMH-UHFFFAOYSA-N
XLogP-1.34
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
CID 61274855
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113258245
N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113248089
N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54903976
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 66006522

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea (CID 78994022) is 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea is Cc1[nH]ncc1S(=O)(=O)NCCNC(N)=O.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea?
The InChIKey is DRLHFSNIUUHXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-5-6(4-10-12-5)16(14,15)11-3-2-9-7(8)13/h4,11H,2-3H2,1H3,(H,10,12)(H3,8,9,13).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea?
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea has a molecular weight of 247.28 g/mol, XLogP of -1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea is sourced from PubChem (CID 78994022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).