1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide

C14H18N6O — CID 133269158

IUPAC1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC1CC(c2ccncc2)NN1
InChIInChI=1S/C14H18N6O/c1-9-11(8-20(2)19-9)14(21)16-13-7-12(17-18-13)10-3-5-15-6-4-10/h3-6,8,12-13,17-18H,7H2,1-2H3,(H,16,21)
InChIKeyFKGVRUXAFLZVQV-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.42
Rot. Bonds3

About 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide

1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide (PubChem CID 133269158) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide
PubChem CID133269158
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC1CC(c2ccncc2)NN1
InChIInChI=1S/C14H18N6O/c1-9-11(8-20(2)19-9)14(21)16-13-7-12(17-18-13)10-3-5-15-6-4-10/h3-6,8,12-13,17-18H,7H2,1-2H3,(H,16,21)
InChIKeyFKGVRUXAFLZVQV-UHFFFAOYSA-N
XLogP0.42
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide (CID 133269158) is 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC1CC(c2ccncc2)NN1.
What is the InChIKey of 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is FKGVRUXAFLZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-11(8-20(2)19-9)14(21)16-13-7-12(17-18-13)10-3-5-15-6-4-10/h3-6,8,12-13,17-18H,7H2,1-2H3,(H,16,21).
What are the key properties of 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide?
1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 133269158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).