N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide

C17H19ClN4O3 — CID 75975401

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CC(c3ccncc3)NN2)cc1Cl
InChIInChI=1S/C17H19ClN4O3/c1-24-15-9-16(25-2)13(7-11(15)18)20-17(23)14-8-12(21-22-14)10-3-5-19-6-4-10/h3-7,9,12,14,21-22H,8H2,1-2H3,(H,20,23)
InChIKeyQIPPQGWFHHIOFX-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.30
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 75975401) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID75975401
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CC(c3ccncc3)NN2)cc1Cl
InChIInChI=1S/C17H19ClN4O3/c1-24-15-9-16(25-2)13(7-11(15)18)20-17(23)14-8-12(21-22-14)10-3-5-19-6-4-10/h3-7,9,12,14,21-22H,8H2,1-2H3,(H,20,23)
InChIKeyQIPPQGWFHHIOFX-UHFFFAOYSA-N
XLogP2.30
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75283567
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
N-(2-methoxy-5-methylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551381
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 75975401) is N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is COc1cc(OC)c(NC(=O)C2CC(c3ccncc3)NN2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is QIPPQGWFHHIOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-24-15-9-16(25-2)13(7-11(15)18)20-17(23)14-8-12(21-22-14)10-3-5-19-6-4-10/h3-7,9,12,14,21-22H,8H2,1-2H3,(H,20,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75975401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).