N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide

C18H20N4O3 — CID 24607746

IUPACN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1cc(C)n(CCC(=O)NNC(=O)c2oc3ccccc3c2C)n1
InChIInChI=1S/C18H20N4O3/c1-11-10-12(2)22(21-11)9-8-16(23)19-20-18(24)17-13(3)14-6-4-5-7-15(14)25-17/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyMXLJQEUIWVMKFW-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.41
Rot. Bonds4

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

N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 24607746) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID24607746
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1cc(C)n(CCC(=O)NNC(=O)c2oc3ccccc3c2C)n1
InChIInChI=1S/C18H20N4O3/c1-11-10-12(2)22(21-11)9-8-16(23)19-20-18(24)17-13(3)14-6-4-5-7-15(14)25-17/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyMXLJQEUIWVMKFW-UHFFFAOYSA-N
XLogP2.41
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
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)propanoyl]-2-hydroxybenzohydrazide
CID 30124446
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide
CID 119055434
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
3-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]-1-benzofuran-2-carbohydrazide
CID 55789166
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 30211712
5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665378
N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
CID 27685590
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 24607746) is N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1cc(C)n(CCC(=O)NNC(=O)c2oc3ccccc3c2C)n1.
What is the InChIKey of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is MXLJQEUIWVMKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-10-12(2)22(21-11)9-8-16(23)19-20-18(24)17-13(3)14-6-4-5-7-15(14)25-17/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 340.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 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]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 24607746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).