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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Related Compounds

1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
CID 84593793
4-[4-[[2-(2,5-dimethyltriazol-4-yl)pyrrolidin-1-yl]methyl]-2-fluorophenoxy]benzamide
CID 134540621
4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 17455487
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
2-[4-[[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
CID 175807300
3-(18F)fluoro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](18F)benzamide
CID 134819949
2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 175807262
4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129480393
2-[4-[[(2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 175807312
4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380488
2-(2-chloro-6-methoxyphenyl)-1-[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 86793609

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).