N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide

C17H22N6O2 — CID 134046006

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)C2CNNC2c2ccccc2)n1
InChIInChI=1S/C17H22N6O2/c1-11-8-12(2)23(22-11)10-15(24)19-21-17(25)14-9-18-20-16(14)13-6-4-3-5-7-13/h3-8,14,16,18,20H,9-10H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyLTCDPOANWXNKCP-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.11
Rot. Bonds4

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide (PubChem CID 134046006) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide
PubChem CID134046006
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)C2CNNC2c2ccccc2)n1
InChIInChI=1S/C17H22N6O2/c1-11-8-12(2)23(22-11)10-15(24)19-21-17(25)14-9-18-20-16(14)13-6-4-3-5-7-13/h3-8,14,16,18,20H,9-10H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyLTCDPOANWXNKCP-UHFFFAOYSA-N
XLogP0.11
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986556
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74621923
(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
CID 40724083
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 46437776
1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 51255236
1-[(2-chlorophenyl)methyl]-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 24819671
N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 51195541
2-cyclopropyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 9424886
N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide
CID 74648803
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
CID 74653127
N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 7780034

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide (CID 134046006) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)C2CNNC2c2ccccc2)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide?
The InChIKey is LTCDPOANWXNKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-8-12(2)23(22-11)10-15(24)19-21-17(25)14-9-18-20-16(14)13-6-4-3-5-7-13/h3-8,14,16,18,20H,9-10H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide has a molecular weight of 342.40 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide is sourced from PubChem (CID 134046006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).