N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C23H27N3O3 — CID 99646890

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1
InChIInChI=1S/C23H27N3O3/c1-15-12-16(2)26(25-15)14-18-6-8-19(9-7-18)23(27)24-17(3)21-13-20(28-4)10-11-22(21)29-5/h6-13,17H,14H2,1-5H3,(H,24,27)/t17-/m1/s1
InChIKeyDQHQCGCVOFALJP-QGZVFWFLSA-N
MW393.49 g/mol
LogP4.06
Rot. Bonds7

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 99646890) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID99646890
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1
InChIInChI=1S/C23H27N3O3/c1-15-12-16(2)26(25-15)14-18-6-8-19(9-7-18)23(27)24-17(3)21-13-20(28-4)10-11-22(21)29-5/h6-13,17H,14H2,1-5H3,(H,24,27)/t17-/m1/s1
InChIKeyDQHQCGCVOFALJP-QGZVFWFLSA-N
XLogP4.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100584519
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 9477750
(2S,3S)-2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-3-methylpentanoic acid
CID 119194190
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 95897931
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 133200218

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 99646890) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is DQHQCGCVOFALJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-12-16(2)26(25-15)14-18-6-8-19(9-7-18)23(27)24-17(3)21-13-20(28-4)10-11-22(21)29-5/h6-13,17H,14H2,1-5H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 99646890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).