N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide

C12H20N4O — CID 51093456

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NCCN(C)C2CC2)c1
InChIInChI=1S/C12H20N4O/c1-10-7-14-16(8-10)9-12(17)13-5-6-15(2)11-3-4-11/h7-8,11H,3-6,9H2,1-2H3,(H,13,17)
InChIKeySUSGSDQFCLVRAG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.40
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 51093456) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID51093456
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NCCN(C)C2CC2)c1
InChIInChI=1S/C12H20N4O/c1-10-7-14-16(8-10)9-12(17)13-5-6-15(2)11-3-4-11/h7-8,11H,3-6,9H2,1-2H3,(H,13,17)
InChIKeySUSGSDQFCLVRAG-UHFFFAOYSA-N
XLogP0.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 51093456) is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)NCCN(C)C2CC2)c1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is SUSGSDQFCLVRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-7-14-16(8-10)9-12(17)13-5-6-15(2)11-3-4-11/h7-8,11H,3-6,9H2,1-2H3,(H,13,17).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 51093456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).