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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Related Compounds

ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43648061
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
CID 43647498
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
CID 79355509
2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
CID 61490053
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55110647
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738

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).