2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide

C21H27N5O — CID 124848562

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
SMILESCc1cc(C)n(C[C@@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C21H27N5O/c1-14-11-16(3)25(23-14)13-15(2)22-21(27)12-20-17(4)24-26(18(20)5)19-9-7-6-8-10-19/h6-11,15H,12-13H2,1-5H3,(H,22,27)/t15-/m1/s1
InChIKeyNAZWSRLBTYRDAG-OAHLLOKOSA-N
MW365.48 g/mol
LogP3.05
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide (PubChem CID 124848562) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
PubChem CID124848562
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
SMILESCc1cc(C)n(C[C@@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C21H27N5O/c1-14-11-16(3)25(23-14)13-15(2)22-21(27)12-20-17(4)24-26(18(20)5)19-9-7-6-8-10-19/h6-11,15H,12-13H2,1-5H3,(H,22,27)/t15-/m1/s1
InChIKeyNAZWSRLBTYRDAG-OAHLLOKOSA-N
XLogP3.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9478159
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884902
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide (CID 124848562) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide is Cc1cc(C)n(C[C@@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide?
The InChIKey is NAZWSRLBTYRDAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14-11-16(3)25(23-14)13-15(2)22-21(27)12-20-17(4)24-26(18(20)5)19-9-7-6-8-10-19/h6-11,15H,12-13H2,1-5H3,(H,22,27)/t15-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 124848562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).