N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide

C17H19ClN4O — CID 155921726

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1CC(c2ccncc2)NN1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN4O/c1-11(13-3-2-4-14(18)9-13)20-17(23)16-10-15(21-22-16)12-5-7-19-8-6-12/h2-9,11,15-16,21-22H,10H2,1H3,(H,20,23)/t11-,15?,16?/m1/s1
InChIKeyNGRMXDCXMGGBRE-VHWKEVPUSA-N
MW330.82 g/mol
LogP2.52
Rot. Bonds4

About N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 155921726) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID155921726
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1CC(c2ccncc2)NN1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN4O/c1-11(13-3-2-4-14(18)9-13)20-17(23)16-10-15(21-22-16)12-5-7-19-8-6-12/h2-9,11,15-16,21-22H,10H2,1H3,(H,20,23)/t11-,15?,16?/m1/s1
InChIKeyNGRMXDCXMGGBRE-VHWKEVPUSA-N
XLogP2.52
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 155921726) is N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide is C[C@@H](NC(=O)C1CC(c2ccncc2)NN1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is NGRMXDCXMGGBRE-VHWKEVPUSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-11(13-3-2-4-14(18)9-13)20-17(23)16-10-15(21-22-16)12-5-7-19-8-6-12/h2-9,11,15-16,21-22H,10H2,1H3,(H,20,23)/t11-,15?,16?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 155921726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).