N-ethyl-5-phenylpyrazolidine-3-carboxamide

C12H17N3O — CID 73487890

IUPACN-ethyl-5-phenylpyrazolidine-3-carboxamide
SMILESCCNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C12H17N3O/c1-2-13-12(16)11-8-10(14-15-11)9-6-4-3-5-7-9/h3-7,10-11,14-15H,2,8H2,1H3,(H,13,16)
InChIKeyVXEQFQNZPOFPPF-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.73
Rot. Bonds3

About N-ethyl-5-phenylpyrazolidine-3-carboxamide

N-ethyl-5-phenylpyrazolidine-3-carboxamide (PubChem CID 73487890) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-ethyl-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-phenylpyrazolidine-3-carboxamide
PubChem CID73487890
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-ethyl-5-phenylpyrazolidine-3-carboxamide
SMILESCCNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C12H17N3O/c1-2-13-12(16)11-8-10(14-15-11)9-6-4-3-5-7-9/h3-7,10-11,14-15H,2,8H2,1H3,(H,13,16)
InChIKeyVXEQFQNZPOFPPF-UHFFFAOYSA-N
XLogP0.73
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
CID 78640428
N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
CID 74537316
5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
CID 75272192
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide
CID 75196091
N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
CID 73421866
N-(2-morpholin-4-ylethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74653698
5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide
CID 76532392
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-phenylpyrazolidine-3-carboxamide
CID 133108504
5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986476
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-ethyl-5-phenylpyrazolidine-3-carboxamide (CID 73487890) is N-ethyl-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-ethyl-5-phenylpyrazolidine-3-carboxamide is CCNC(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-ethyl-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is VXEQFQNZPOFPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-13-12(16)11-8-10(14-15-11)9-6-4-3-5-7-9/h3-7,10-11,14-15H,2,8H2,1H3,(H,13,16).
What are the key properties of N-ethyl-5-phenylpyrazolidine-3-carboxamide?
N-ethyl-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 73487890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).