(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide

C19H26ClN3O2 — CID 51597392

IUPAC(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)cc1C
InChIInChI=1S/C19H26ClN3O2/c1-12-10-16(6-7-17(12)25-5)8-9-21-18(24)11-13(2)23-15(4)19(20)14(3)22-23/h6-7,10,13H,8-9,11H2,1-5H3,(H,21,24)/t13-/m1/s1
InChIKeyZPWIJUYIGQYLCH-CYBMUJFWSA-N
MW363.89 g/mol
LogP3.78
Rot. Bonds7

About (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide

(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide (PubChem CID 51597392) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
PubChem CID51597392
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)cc1C
InChIInChI=1S/C19H26ClN3O2/c1-12-10-16(6-7-17(12)25-5)8-9-21-18(24)11-13(2)23-15(4)19(20)14(3)22-23/h6-7,10,13H,8-9,11H2,1-5H3,(H,21,24)/t13-/m1/s1
InChIKeyZPWIJUYIGQYLCH-CYBMUJFWSA-N
XLogP3.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide with MolForge

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 19543667
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
(3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide
CID 126428560
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 19517423
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19528467
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide?
The IUPAC name of (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide (CID 51597392) is (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide?
The canonical SMILES for (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide is COc1ccc(CCNC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)cc1C.
What is the InChIKey of (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide?
The InChIKey is ZPWIJUYIGQYLCH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-12-10-16(6-7-17(12)25-5)8-9-21-18(24)11-13(2)23-15(4)19(20)14(3)22-23/h6-7,10,13H,8-9,11H2,1-5H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide?
(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide has a molecular weight of 363.89 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 51597392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).