N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide

C16H22N4O3S — CID 24675406

IUPACN-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C16H22N4O3S/c1-4-5-13-10-15(19-18-13)16(21)20(3)11(2)12-6-8-14(9-7-12)24(17,22)23/h6-11H,4-5H2,1-3H3,(H,18,19)(H2,17,22,23)
InChIKeyXDERYENMNZJSAP-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.84
Rot. Bonds6

About N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide

N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 24675406) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID24675406
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C16H22N4O3S/c1-4-5-13-10-15(19-18-13)16(21)20(3)11(2)12-6-8-14(9-7-12)24(17,22)23/h6-11H,4-5H2,1-3H3,(H,18,19)(H2,17,22,23)
InChIKeyXDERYENMNZJSAP-UHFFFAOYSA-N
XLogP1.84
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 47024435
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 24674354
2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 95155780
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55601702
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
N-methyl-5-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24532743
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635547
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide (CID 24675406) is N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)n[nH]1.
What is the InChIKey of N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is XDERYENMNZJSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-4-5-13-10-15(19-18-13)16(21)20(3)11(2)12-6-8-14(9-7-12)24(17,22)23/h6-11H,4-5H2,1-3H3,(H,18,19)(H2,17,22,23).
What are the key properties of N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 24675406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).