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

C16H18N4O2 — CID 75975398

IUPACN-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1
InChIInChI=1S/C16H18N4O2/c1-22-13-4-2-12(3-5-13)18-16(21)15-10-14(19-20-15)11-6-8-17-9-7-11/h2-9,14-15,19-20H,10H2,1H3,(H,18,21)
InChIKeyQCSHXMWJXZDZOH-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.64
Rot. Bonds4

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

N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 75975398) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID75975398
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1
InChIInChI=1S/C16H18N4O2/c1-22-13-4-2-12(3-5-13)18-16(21)15-10-14(19-20-15)11-6-8-17-9-7-11/h2-9,14-15,19-20H,10H2,1H3,(H,18,21)
InChIKeyQCSHXMWJXZDZOH-UHFFFAOYSA-N
XLogP1.64
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75975436
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975401
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74486868
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429
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
5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide
CID 75085719
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 75975398) is N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is QCSHXMWJXZDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-13-4-2-12(3-5-13)18-16(21)15-10-14(19-20-15)11-6-8-17-9-7-11/h2-9,14-15,19-20H,10H2,1H3,(H,18,21).
What are the key properties of N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75975398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).