N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide

C16H23N3O — CID 134128013

IUPACN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide
SMILESCC1(C)CC1(CNC(=O)C1CNNC1)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-15(2)10-16(15,13-6-4-3-5-7-13)11-17-14(20)12-8-18-19-9-12/h3-7,12,18-19H,8-11H2,1-2H3,(H,17,20)
InChIKeyORFMQPGBEQQLLU-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.19
Rot. Bonds4

About N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide

N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide (PubChem CID 134128013) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide
PubChem CID134128013
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide
SMILESCC1(C)CC1(CNC(=O)C1CNNC1)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-15(2)10-16(15,13-6-4-3-5-7-13)11-17-14(20)12-8-18-19-9-12/h3-7,12,18-19H,8-11H2,1-2H3,(H,17,20)
InChIKeyORFMQPGBEQQLLU-UHFFFAOYSA-N
XLogP1.19
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide (CID 134128013) is N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide is CC1(C)CC1(CNC(=O)C1CNNC1)c1ccccc1.
What is the InChIKey of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is ORFMQPGBEQQLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-15(2)10-16(15,13-6-4-3-5-7-13)11-17-14(20)12-8-18-19-9-12/h3-7,12,18-19H,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide?
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134128013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).