3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide

C23H27N3O2 — CID 19629323

IUPAC3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C23H27N3O2/c1-15(2)28-21-8-6-7-19(14-21)23(27)24-20-11-9-18(10-12-20)13-22-16(3)25-26(5)17(22)4/h6-12,14-15H,13H2,1-5H3,(H,24,27)
InChIKeyZIOYZYYJWFSDCT-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.67
Rot. Bonds6

About 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide

3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide (PubChem CID 19629323) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
PubChem CID19629323
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C23H27N3O2/c1-15(2)28-21-8-6-7-19(14-21)23(27)24-20-11-9-18(10-12-20)13-22-16(3)25-26(5)17(22)4/h6-12,14-15H,13H2,1-5H3,(H,24,27)
InChIKeyZIOYZYYJWFSDCT-UHFFFAOYSA-N
XLogP4.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 22781791
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
3-butoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide
CID 22782589
2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959378
4-methyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 19629363
3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide
CID 959379
2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 959425
2,2-dimethyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959383
5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 19631270
1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 112730009
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
3,5-dibromo-2-methoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 23100728

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide (CID 19629323) is 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide is Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1.
What is the InChIKey of 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide?
The InChIKey is ZIOYZYYJWFSDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(2)28-21-8-6-7-19(14-21)23(27)24-20-11-9-18(10-12-20)13-22-16(3)25-26(5)17(22)4/h6-12,14-15H,13H2,1-5H3,(H,24,27).
What are the key properties of 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide?
3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 19629323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).