2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide

C21H28ClN3O2 — CID 55792337

IUPAC2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NCCCOCC3CC3)c2C)cc1Cl
InChIInChI=1S/C21H28ClN3O2/c1-14-5-8-18(11-20(14)22)25-16(3)19(15(2)24-25)12-21(26)23-9-4-10-27-13-17-6-7-17/h5,8,11,17H,4,6-7,9-10,12-13H2,1-3H3,(H,23,26)
InChIKeyAHFXBFWGMZGXBE-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.93
Rot. Bonds9

About 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide (PubChem CID 55792337) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide
PubChem CID55792337
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NCCCOCC3CC3)c2C)cc1Cl
InChIInChI=1S/C21H28ClN3O2/c1-14-5-8-18(11-20(14)22)25-16(3)19(15(2)24-25)12-21(26)23-9-4-10-27-13-17-6-7-17/h5,8,11,17H,4,6-7,9-10,12-13H2,1-3H3,(H,23,26)
InChIKeyAHFXBFWGMZGXBE-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55793924
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 94563213
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide
CID 56559323
3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119177582
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 55823265
1-[3-(cyclopropylmethoxy)propyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 86994167
N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765985
N-(3-aminopropyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119407249
4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide
CID 56518026
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-cyanocyclopentyl)acetamide
CID 87017591
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56550904

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide (CID 55792337) is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide is Cc1ccc(-n2nc(C)c(CC(=O)NCCCOCC3CC3)c2C)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The InChIKey is AHFXBFWGMZGXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-14-5-8-18(11-20(14)22)25-16(3)19(15(2)24-25)12-21(26)23-9-4-10-27-13-17-6-7-17/h5,8,11,17H,4,6-7,9-10,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide?
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide has a molecular weight of 389.93 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide is sourced from PubChem (CID 55792337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).