4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide

C13H21N7O — CID 134127943

IUPAC4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide
SMILESCC1C(C(=O)NCC2NNNN2)NNC1c1ccccc1
InChIInChI=1S/C13H21N7O/c1-8-11(9-5-3-2-4-6-9)17-18-12(8)13(21)14-7-10-15-19-20-16-10/h2-6,8,10-12,15-20H,7H2,1H3,(H,14,21)
InChIKeyVVLKXMSHTGJASK-UHFFFAOYSA-N
MW291.36 g/mol
LogP-1.60
Rot. Bonds4

About 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide

4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide (PubChem CID 134127943) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide
PubChem CID134127943
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide
SMILESCC1C(C(=O)NCC2NNNN2)NNC1c1ccccc1
InChIInChI=1S/C13H21N7O/c1-8-11(9-5-3-2-4-6-9)17-18-12(8)13(21)14-7-10-15-19-20-16-10/h2-6,8,10-12,15-20H,7H2,1H3,(H,14,21)
InChIKeyVVLKXMSHTGJASK-UHFFFAOYSA-N
XLogP-1.60
TPSA101.28 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.36
LogP ≤ 5-1.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide
CID 75261509
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide
CID 75261446
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-5-phenylpyrazolidine-3-carboxamide
CID 137272903
4-bromo-N-ethoxy-5-phenylpyrazolidine-3-carboxamide
CID 52991274
methyl 4-bromo-5-phenylpyrazolidine-3-carboxylate
CID 75117972
4-bromo-5-phenylpyrazolidine-3-carboxylic acid
CID 75117975
N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide
CID 133110112
N-(4-methylsulfonylphenyl)-5-phenyltriazolidine-4-carboxamide
CID 133110114
ethyl 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolidine-3-carboxylate
CID 75132553
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide
CID 133108099
3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole
CID 45036955
N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154993891

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide?
The IUPAC name of 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide (CID 134127943) is 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide is CC1C(C(=O)NCC2NNNN2)NNC1c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide?
The InChIKey is VVLKXMSHTGJASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-8-11(9-5-3-2-4-6-9)17-18-12(8)13(21)14-7-10-15-19-20-16-10/h2-6,8,10-12,15-20H,7H2,1H3,(H,14,21).
What are the key properties of 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide?
4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide has a molecular weight of 291.36 g/mol, XLogP of -1.60, 4 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134127943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).