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

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Related Compounds

N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 81370211
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968
5-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255220
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857

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).