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

C16H17ClN4O2 — CID 75975433

IUPACN-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1Cl
InChIInChI=1S/C16H17ClN4O2/c1-23-15-3-2-11(8-12(15)17)19-16(22)14-9-13(20-21-14)10-4-6-18-7-5-10/h2-8,13-14,20-21H,9H2,1H3,(H,19,22)
InChIKeyVPLMWRCVVJEVKI-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.29
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 75975433) 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-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID75975433
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1Cl
InChIInChI=1S/C16H17ClN4O2/c1-23-15-3-2-11(8-12(15)17)19-16(22)14-9-13(20-21-14)10-4-6-18-7-5-10/h2-8,13-14,20-21H,9H2,1H3,(H,19,22)
InChIKeyVPLMWRCVVJEVKI-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-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
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-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
5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75975436
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75283567
N-(3-chloro-4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263900
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 75975433) is N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is VPLMWRCVVJEVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-23-15-3-2-11(8-12(15)17)19-16(22)14-9-13(20-21-14)10-4-6-18-7-5-10/h2-8,13-14,20-21H,9H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-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-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).