3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide

C14H21BrN4O — CID 63920900

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
SMILESCc1nn(CC(NC2CC2)(C(N)=O)C2CC2)c(C)c1Br
InChIInChI=1S/C14H21BrN4O/c1-8-12(15)9(2)19(18-8)7-14(13(16)20,10-3-4-10)17-11-5-6-11/h10-11,17H,3-7H2,1-2H3,(H2,16,20)
InChIKeyZMJPAPOYWWVMHN-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.65
Rot. Bonds6

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide (PubChem CID 63920900) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
PubChem CID63920900
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
SMILESCc1nn(CC(NC2CC2)(C(N)=O)C2CC2)c(C)c1Br
InChIInChI=1S/C14H21BrN4O/c1-8-12(15)9(2)19(18-8)7-14(13(16)20,10-3-4-10)17-11-5-6-11/h10-11,17H,3-7H2,1-2H3,(H2,16,20)
InChIKeyZMJPAPOYWWVMHN-UHFFFAOYSA-N
XLogP1.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide (CID 63920900) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide is Cc1nn(CC(NC2CC2)(C(N)=O)C2CC2)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The InChIKey is ZMJPAPOYWWVMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-8-12(15)9(2)19(18-8)7-14(13(16)20,10-3-4-10)17-11-5-6-11/h10-11,17H,3-7H2,1-2H3,(H2,16,20).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide has a molecular weight of 341.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide is sourced from PubChem (CID 63920900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).