5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide

C14H22N4O2 — CID 78211548

IUPAC5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
SMILESCC(C)COc1ccc(C2CC(C(=O)NN)NN2)cc1
InChIInChI=1S/C14H22N4O2/c1-9(2)8-20-11-5-3-10(4-6-11)12-7-13(18-17-12)14(19)16-15/h3-6,9,12-13,17-18H,7-8,15H2,1-2H3,(H,16,19)
InChIKeyUFPWMGWKYXLFGC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.62
Rot. Bonds5

About 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide

5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide (PubChem CID 78211548) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide.

Molecular Properties

Compound Name5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
PubChem CID78211548
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
SMILESCC(C)COc1ccc(C2CC(C(=O)NN)NN2)cc1
InChIInChI=1S/C14H22N4O2/c1-9(2)8-20-11-5-3-10(4-6-11)12-7-13(18-17-12)14(19)16-15/h3-6,9,12-13,17-18H,7-8,15H2,1-2H3,(H,16,19)
InChIKeyUFPWMGWKYXLFGC-UHFFFAOYSA-N
XLogP0.62
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
CID 75234244
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
N-(2,3-dichlorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254833
2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide
CID 156591339
5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75234301
2-[4-(2-methylpropoxy)phenyl]piperazine
CID 82290919
4-hydroxy-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119778712
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate
CID 52989273
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide?
The IUPAC name of 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide (CID 78211548) is 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide.
What is the SMILES notation for 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide?
The canonical SMILES for 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide is CC(C)COc1ccc(C2CC(C(=O)NN)NN2)cc1.
What is the InChIKey of 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide?
The InChIKey is UFPWMGWKYXLFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)8-20-11-5-3-10(4-6-11)12-7-13(18-17-12)14(19)16-15/h3-6,9,12-13,17-18H,7-8,15H2,1-2H3,(H,16,19).
What are the key properties of 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide?
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide has a molecular weight of 278.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide is sourced from PubChem (CID 78211548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).