3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide

C20H28N4O — CID 118304015

IUPAC3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2cccc(C3CC3NCC(C)(C)C)c2)cnn1C
InChIInChI=1S/C20H28N4O/c1-13-18(11-22-24(13)5)23-19(25)15-8-6-7-14(9-15)16-10-17(16)21-12-20(2,3)4/h6-9,11,16-17,21H,10,12H2,1-5H3,(H,23,25)
InChIKeyWYUFANCNVJYART-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.47
Rot. Bonds5

About 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide

3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide (PubChem CID 118304015) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide
PubChem CID118304015
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2cccc(C3CC3NCC(C)(C)C)c2)cnn1C
InChIInChI=1S/C20H28N4O/c1-13-18(11-22-24(13)5)23-19(25)15-8-6-7-14(9-15)16-10-17(16)21-12-20(2,3)4/h6-9,11,16-17,21H,10,12H2,1-5H3,(H,23,25)
InChIKeyWYUFANCNVJYART-UHFFFAOYSA-N
XLogP3.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide (CID 118304015) is 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2cccc(C3CC3NCC(C)(C)C)c2)cnn1C.
What is the InChIKey of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The InChIKey is WYUFANCNVJYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-13-18(11-22-24(13)5)23-19(25)15-8-6-7-14(9-15)16-10-17(16)21-12-20(2,3)4/h6-9,11,16-17,21H,10,12H2,1-5H3,(H,23,25).
What are the key properties of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide?
3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide has a molecular weight of 340.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1,5-dimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 118304015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).