N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide

C11H18N4O3S — CID 78954154

IUPACN-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H18N4O3S/c1-8-10(7-12-15-8)19(17,18)13-6-2-3-11(16)14-9-4-5-9/h7,9,13H,2-6H2,1H3,(H,12,15)(H,14,16)
InChIKeyVRAJAUPWCBCZJQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.06
Rot. Bonds7

About N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide

N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide (PubChem CID 78954154) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
PubChem CID78954154
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H18N4O3S/c1-8-10(7-12-15-8)19(17,18)13-6-2-3-11(16)14-9-4-5-9/h7,9,13H,2-6H2,1H3,(H,12,15)(H,14,16)
InChIKeyVRAJAUPWCBCZJQ-UHFFFAOYSA-N
XLogP0.06
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 54929871
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
CID 61274855
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
CID 78996204
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 66006522
N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide
CID 79395251
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79379980
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide (CID 78954154) is N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide is Cc1[nH]ncc1S(=O)(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide?
The InChIKey is VRAJAUPWCBCZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-10(7-12-15-8)19(17,18)13-6-2-3-11(16)14-9-4-5-9/h7,9,13H,2-6H2,1H3,(H,12,15)(H,14,16).
What are the key properties of N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide?
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide has a molecular weight of 286.36 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide is sourced from PubChem (CID 78954154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).