N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide

C16H17ClN4O2 — CID 75972765

IUPACN-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3cccnc3)NN2)cc1Cl
InChIInChI=1S/C16H17ClN4O2/c1-23-15-5-4-11(7-12(15)17)19-16(22)14-8-13(20-21-14)10-3-2-6-18-9-10/h2-7,9,13-14,20-21H,8H2,1H3,(H,19,22)
InChIKeyYDHJHSSAGIKBKQ-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.29
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide (PubChem CID 75972765) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
PubChem CID75972765
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3cccnc3)NN2)cc1Cl
InChIInChI=1S/C16H17ClN4O2/c1-23-15-5-4-11(7-12(15)17)19-16(22)14-8-13(20-21-14)10-3-2-6-18-9-10/h2-7,9,13-14,20-21H,8H2,1H3,(H,19,22)
InChIKeyYDHJHSSAGIKBKQ-UHFFFAOYSA-N
XLogP2.29
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75975474
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975401
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543375
N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
CID 52987361
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
N-(3-chloro-4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263900

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide (CID 75972765) is N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(c3cccnc3)NN2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The InChIKey is YDHJHSSAGIKBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-23-15-5-4-11(7-12(15)17)19-16(22)14-8-13(20-21-14)10-3-2-6-18-9-10/h2-7,9,13-14,20-21H,8H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75972765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).