N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C21H27N5O2 — CID 134703651

IUPACN-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCOc1ccccc1-c1c(C)nn(C)c1NC(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C21H27N5O2/c1-13(2)19-22-11-12-26(19)15(4)21(27)23-20-18(14(3)24-25(20)5)16-9-7-8-10-17(16)28-6/h7-13,15H,1-6H3,(H,23,27)
InChIKeyCJTOTZHNPXUYAC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.92
Rot. Bonds6

About N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 134703651) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID134703651
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCOc1ccccc1-c1c(C)nn(C)c1NC(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C21H27N5O2/c1-13(2)19-22-11-12-26(19)15(4)21(27)23-20-18(14(3)24-25(20)5)16-9-7-8-10-17(16)28-6/h7-13,15H,1-6H3,(H,23,27)
InChIKeyCJTOTZHNPXUYAC-UHFFFAOYSA-N
XLogP3.92
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide
CID 134714289
1-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97433777
1-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
CID 118792010
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea
CID 72911546
1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide
CID 134697760
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 131931084
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]acetamide
CID 134713407
2-(2-propan-2-ylimidazol-1-yl)-N-(2-propan-2-yltriazol-4-yl)propanamide
CID 156585598
N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72837875
(2S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97274088
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 46968486
(2R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97194945

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 134703651) is N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is COc1ccccc1-c1c(C)nn(C)c1NC(=O)C(C)n1ccnc1C(C)C.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is CJTOTZHNPXUYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(2)19-22-11-12-26(19)15(4)21(27)23-20-18(14(3)24-25(20)5)16-9-7-8-10-17(16)28-6/h7-13,15H,1-6H3,(H,23,27).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 134703651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).