3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C25H25N5O2 — CID 134325399

IUPAC3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCC(C#N)C3)c2)c1
InChIInChI=1S/C25H25N5O2/c1-16-2-4-18(25(31)29-20-5-6-20)9-24(16)19-12-28-30(15-19)21-10-23(14-27-13-21)32-22-7-3-17(8-22)11-26/h2,4,9-10,12-15,17,20,22H,3,5-8H2,1H3,(H,29,31)
InChIKeyAHYJGFNLWJVRAX-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.21
Rot. Bonds6

About 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134325399) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134325399
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCC(C#N)C3)c2)c1
InChIInChI=1S/C25H25N5O2/c1-16-2-4-18(25(31)29-20-5-6-20)9-24(16)19-12-28-30(15-19)21-10-23(14-27-13-21)32-22-7-3-17(8-22)11-26/h2,4,9-10,12-15,17,20,22H,3,5-8H2,1H3,(H,29,31)
InChIKeyAHYJGFNLWJVRAX-UHFFFAOYSA-N
XLogP4.21
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134325399) is 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCC(C#N)C3)c2)c1.
What is the InChIKey of 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is AHYJGFNLWJVRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-2-4-18(25(31)29-20-5-6-20)9-24(16)19-12-28-30(15-19)21-10-23(14-27-13-21)32-22-7-3-17(8-22)11-26/h2,4,9-10,12-15,17,20,22H,3,5-8H2,1H3,(H,29,31).
What are the key properties of 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 427.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(3-cyanocyclopentyl)oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134325399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).