N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide

C19H25N5O5S — CID 30211712

IUPACN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCc1cc(C)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C19H25N5O5S/c1-14-12-15(2)24(22-14)7-6-18(25)20-21-19(26)16-4-3-5-17(13-16)30(27,28)23-8-10-29-11-9-23/h3-5,12-13H,6-11H2,1-2H3,(H,20,25)(H,21,26)
InChIKeySWMLPHQFHWDTED-UHFFFAOYSA-N
MW435.51 g/mol
LogP0.37
Rot. Bonds6

About N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide

N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 30211712) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 g/mol. Its IUPAC name is N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID30211712
Molecular FormulaC19H25N5O5S
Molecular Weight435.51 g/mol
Exact Mass435.16
IUPAC NameN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCc1cc(C)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C19H25N5O5S/c1-14-12-15(2)24(22-14)7-6-18(25)20-21-19(26)16-4-3-5-17(13-16)30(27,28)23-8-10-29-11-9-23/h3-5,12-13H,6-11H2,1-2H3,(H,20,25)(H,21,26)
InChIKeySWMLPHQFHWDTED-UHFFFAOYSA-N
XLogP0.37
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24642809
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 3947169
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 26654349
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2331780
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542
1-ethyl-2-methyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2102444

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide (CID 30211712) is N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide is Cc1cc(C)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1.
What is the InChIKey of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is SWMLPHQFHWDTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S/c1-14-12-15(2)24(22-14)7-6-18(25)20-21-19(26)16-4-3-5-17(13-16)30(27,28)23-8-10-29-11-9-23/h3-5,12-13H,6-11H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 435.51 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 30211712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).