3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide

C23H27N3O2 — CID 122556842

IUPAC3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCOCc1n[nH]c(C)c1-c1cccc(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C23H27N3O2/c1-16(12-13-18-8-5-4-6-9-18)24-23(27)20-11-7-10-19(14-20)22-17(2)25-26-21(22)15-28-3/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyGIQJTSWCHTZTTQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.28
Rot. Bonds8

About 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide

3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 122556842) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID122556842
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCOCc1n[nH]c(C)c1-c1cccc(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C23H27N3O2/c1-16(12-13-18-8-5-4-6-9-18)24-23(27)20-11-7-10-19(14-20)22-17(2)25-26-21(22)15-28-3/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyGIQJTSWCHTZTTQ-UHFFFAOYSA-N
XLogP4.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 125439283
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
5-(methoxymethyl)-N-[3-[[(2S)-4-phenylbutan-2-yl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871915
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 92870064
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
CID 122556031

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide (CID 122556842) is 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide is COCc1n[nH]c(C)c1-c1cccc(C(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is GIQJTSWCHTZTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(12-13-18-8-5-4-6-9-18)24-23(27)20-11-7-10-19(14-20)22-17(2)25-26-21(22)15-28-3/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide?
3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 122556842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).