2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide

C23H26N4O3 — CID 175807262

IUPAC2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
SMILESCOc1nn(C)cc1C1CCCN1Cc1ccc(Oc2ccccc2C(N)=O)cc1
InChIInChI=1S/C23H26N4O3/c1-26-15-19(23(25-26)29-2)20-7-5-13-27(20)14-16-9-11-17(12-10-16)30-21-8-4-3-6-18(21)22(24)28/h3-4,6,8-12,15,20H,5,7,13-14H2,1-2H3,(H2,24,28)
InChIKeyGCHHZYPKCLKOQD-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.66
Rot. Bonds7

About 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide

2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide (PubChem CID 175807262) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide.

Molecular Properties

Compound Name2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
PubChem CID175807262
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
SMILESCOc1nn(C)cc1C1CCCN1Cc1ccc(Oc2ccccc2C(N)=O)cc1
InChIInChI=1S/C23H26N4O3/c1-26-15-19(23(25-26)29-2)20-7-5-13-27(20)14-16-9-11-17(12-10-16)30-21-8-4-3-6-18(21)22(24)28/h3-4,6,8-12,15,20H,5,7,13-14H2,1-2H3,(H2,24,28)
InChIKeyGCHHZYPKCLKOQD-UHFFFAOYSA-N
XLogP3.66
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
CID 175807300
2-[4-[[(2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 175807312
4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 175807196
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
4-[4-[[2-(2,5-dimethyltriazol-4-yl)pyrrolidin-1-yl]methyl]-2-fluorophenoxy]benzamide
CID 134540621
(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 102386977
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
3-(18F)fluoro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](18F)benzamide
CID 134819949
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide?
The IUPAC name of 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide (CID 175807262) is 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide.
What is the SMILES notation for 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide?
The canonical SMILES for 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide is COc1nn(C)cc1C1CCCN1Cc1ccc(Oc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide?
The InChIKey is GCHHZYPKCLKOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-26-15-19(23(25-26)29-2)20-7-5-13-27(20)14-16-9-11-17(12-10-16)30-21-8-4-3-6-18(21)22(24)28/h3-4,6,8-12,15,20H,5,7,13-14H2,1-2H3,(H2,24,28).
What are the key properties of 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide?
2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide is sourced from PubChem (CID 175807262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).