2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide

C16H28N4O — CID 61489671

IUPAC2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C16H28N4O/c1-5-13(6-2)18-16(21)10-20-12(4)15(11(3)19-20)9-17-14-7-8-14/h13-14,17H,5-10H2,1-4H3,(H,18,21)
InChIKeyVMUQCAVOMHYPRJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.06
Rot. Bonds8

About 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide

2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide (PubChem CID 61489671) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide
PubChem CID61489671
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C16H28N4O/c1-5-13(6-2)18-16(21)10-20-12(4)15(11(3)19-20)9-17-14-7-8-14/h13-14,17H,5-10H2,1-4H3,(H,18,21)
InChIKeyVMUQCAVOMHYPRJ-UHFFFAOYSA-N
XLogP2.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide (CID 61489671) is 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1nc(C)c(CNC2CC2)c1C.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is VMUQCAVOMHYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-13(6-2)18-16(21)10-20-12(4)15(11(3)19-20)9-17-14-7-8-14/h13-14,17H,5-10H2,1-4H3,(H,18,21).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide?
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 292.43 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61489671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).