2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile

C23H23N5O2 — CID 71561499

IUPAC2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile
SMILESCc1nn(C)c(Oc2ccccc2C#N)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C23H23N5O2/c1-16-21(23(27(2)26-16)30-20-11-4-3-8-17(20)14-24)22(29)28-13-6-5-10-19(28)18-9-7-12-25-15-18/h3-4,7-9,11-12,15,19H,5-6,10,13H2,1-2H3
InChIKeyPQAGJHIMXNSATK-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.15
Rot. Bonds4

About 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile

2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile (PubChem CID 71561499) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile
PubChem CID71561499
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile
SMILESCc1nn(C)c(Oc2ccccc2C#N)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C23H23N5O2/c1-16-21(23(27(2)26-16)30-20-11-4-3-8-17(20)14-24)22(29)28-13-6-5-10-19(28)18-9-7-12-25-15-18/h3-4,7-9,11-12,15,19H,5-6,10,13H2,1-2H3
InChIKeyPQAGJHIMXNSATK-UHFFFAOYSA-N
XLogP4.15
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile?
The IUPAC name of 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile (CID 71561499) is 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile.
What is the SMILES notation for 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile?
The canonical SMILES for 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile is Cc1nn(C)c(Oc2ccccc2C#N)c1C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile?
The InChIKey is PQAGJHIMXNSATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-21(23(27(2)26-16)30-20-11-4-3-8-17(20)14-24)22(29)28-13-6-5-10-19(28)18-9-7-12-25-15-18/h3-4,7-9,11-12,15,19H,5-6,10,13H2,1-2H3.
What are the key properties of 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile?
2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile has a molecular weight of 401.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzonitrile is sourced from PubChem (CID 71561499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).