N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide

C15H18N4O3 — CID 30124446

IUPACN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide
SMILESCc1cc(C)n(CCC(=O)NNC(=O)c2ccccc2O)n1
InChIInChI=1S/C15H18N4O3/c1-10-9-11(2)19(18-10)8-7-14(21)16-17-15(22)12-5-3-4-6-13(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyJZWYRFHSORFEIA-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.06
Rot. Bonds4

About N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide

N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide (PubChem CID 30124446) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide
PubChem CID30124446
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide
SMILESCc1cc(C)n(CCC(=O)NNC(=O)c2ccccc2O)n1
InChIInChI=1S/C15H18N4O3/c1-10-9-11(2)19(18-10)8-7-14(21)16-17-15(22)12-5-3-4-6-13(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyJZWYRFHSORFEIA-UHFFFAOYSA-N
XLogP1.06
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 24607746
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135582560
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63184682
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 24607686
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 135517055

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide (CID 30124446) is N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide is Cc1cc(C)n(CCC(=O)NNC(=O)c2ccccc2O)n1.
What is the InChIKey of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide?
The InChIKey is JZWYRFHSORFEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-9-11(2)19(18-10)8-7-14(21)16-17-15(22)12-5-3-4-6-13(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide?
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide has a molecular weight of 302.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 30124446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).