4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide

C23H26N4O2 — CID 175807196

IUPAC4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
SMILESCc1c([C@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)cc2)cnn1C
InChIInChI=1S/C23H26N4O2/c1-16-21(14-25-26(16)2)22-4-3-13-27(22)15-17-5-9-19(10-6-17)29-20-11-7-18(8-12-20)23(24)28/h5-12,14,22H,3-4,13,15H2,1-2H3,(H2,24,28)/t22-/m1/s1
InChIKeyABHDWLWYUHDRCA-JOCHJYFZSA-N
MW390.49 g/mol
LogP3.96
Rot. Bonds6

About 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide

4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide (PubChem CID 175807196) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
PubChem CID175807196
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
SMILESCc1c([C@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)cc2)cnn1C
InChIInChI=1S/C23H26N4O2/c1-16-21(14-25-26(16)2)22-4-3-13-27(22)15-17-5-9-19(10-6-17)29-20-11-7-18(8-12-20)23(24)28/h5-12,14,22H,3-4,13,15H2,1-2H3,(H2,24,28)/t22-/m1/s1
InChIKeyABHDWLWYUHDRCA-JOCHJYFZSA-N
XLogP3.96
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide (CID 175807196) is 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide is Cc1c([C@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)cc2)cnn1C.
What is the InChIKey of 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide?
The InChIKey is ABHDWLWYUHDRCA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-21(14-25-26(16)2)22-4-3-13-27(22)15-17-5-9-19(10-6-17)29-20-11-7-18(8-12-20)23(24)28/h5-12,14,22H,3-4,13,15H2,1-2H3,(H2,24,28)/t22-/m1/s1.
What are the key properties of 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide?
4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide is sourced from PubChem (CID 175807196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).