N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide

C14H20N4O2 — CID 78640428

IUPACN-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C14H20N4O2/c1-18(2)13(19)9-15-14(20)12-8-11(16-17-12)10-6-4-3-5-7-10/h3-7,11-12,16-17H,8-9H2,1-2H3,(H,15,20)
InChIKeySHBDZYZKGTZHOF-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.20
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide (PubChem CID 78640428) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
PubChem CID78640428
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C14H20N4O2/c1-18(2)13(19)9-15-14(20)12-8-11(16-17-12)10-6-4-3-5-7-10/h3-7,11-12,16-17H,8-9H2,1-2H3,(H,15,20)
InChIKeySHBDZYZKGTZHOF-UHFFFAOYSA-N
XLogP-0.20
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide
CID 75196091
N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
CID 74537316
5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
CID 75272192
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
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-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622
5-(4-hydroxyphenyl)-N-[(1-phenylcyclopentyl)methyl]pyrazolidine-3-carboxamide
CID 134081161
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide (CID 78640428) is N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide is CN(C)C(=O)CNC(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is SHBDZYZKGTZHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18(2)13(19)9-15-14(20)12-8-11(16-17-12)10-6-4-3-5-7-10/h3-7,11-12,16-17H,8-9H2,1-2H3,(H,15,20).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 78640428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).