2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone

C10H15N3O — CID 103133024

IUPAC2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)CNCC2CC2)n1
InChIInChI=1S/C10H15N3O/c1-13-5-4-9(12-13)10(14)7-11-6-8-2-3-8/h4-5,8,11H,2-3,6-7H2,1H3
InChIKeyPQKLJKFJOZISBF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.60
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone

2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 103133024) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID103133024
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)CNCC2CC2)n1
InChIInChI=1S/C10H15N3O/c1-13-5-4-9(12-13)10(14)7-11-6-8-2-3-8/h4-5,8,11H,2-3,6-7H2,1H3
InChIKeyPQKLJKFJOZISBF-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone (CID 103133024) is 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(C(=O)CNCC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is PQKLJKFJOZISBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-5-4-9(12-13)10(14)7-11-6-8-2-3-8/h4-5,8,11H,2-3,6-7H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone?
2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 103133024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).