1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide

C19H20N4O3 — CID 7601278

IUPAC1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C19H20N4O3/c1-12-17(13(2)23(22-12)11-15-7-5-4-6-8-15)19(25)21-20-18(24)16-9-10-26-14(16)3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyHZEVPNCVKBHQJS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.52
Rot. Bonds4

About 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide

1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide (PubChem CID 7601278) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide
PubChem CID7601278
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C19H20N4O3/c1-12-17(13(2)23(22-12)11-15-7-5-4-6-8-15)19(25)21-20-18(24)16-9-10-26-14(16)3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyHZEVPNCVKBHQJS-UHFFFAOYSA-N
XLogP2.52
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.52
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

1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethylfuran-3-carbonyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 7600649
1-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9271798
1-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-3-(3-chlorophenyl)thiourea
CID 9376642
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylfuran-3-carboxamide
CID 4049438
1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide
CID 26245753
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9209843
1-benzyl-3,5-dimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 9179547
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 47007794
1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41117308
1-benzyl-N-[3-(carbamoylamino)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55539291

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide (CID 7601278) is 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)c1ccoc1C.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide?
The InChIKey is HZEVPNCVKBHQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-17(13(2)23(22-12)11-15-7-5-4-6-8-15)19(25)21-20-18(24)16-9-10-26-14(16)3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide?
1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide has a molecular weight of 352.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 7601278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).