2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide

C13H23N5O — CID 107109646

IUPAC2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C13H23N5O/c1-3-16(2)13(19)10-17-7-4-11(5-8-17)18-9-6-12(14)15-18/h6,9,11H,3-5,7-8,10H2,1-2H3,(H2,14,15)
InChIKeyCQHVEIOGQVVXGE-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.58
Rot. Bonds4

About 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide

2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 107109646) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
PubChem CID107109646
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C13H23N5O/c1-3-16(2)13(19)10-17-7-4-11(5-8-17)18-9-6-12(14)15-18/h6,9,11H,3-5,7-8,10H2,1-2H3,(H2,14,15)
InChIKeyCQHVEIOGQVVXGE-UHFFFAOYSA-N
XLogP0.58
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 107110032
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
CID 107108865
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
CID 107109068
1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110055
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109951
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide (CID 107109646) is 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is CQHVEIOGQVVXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-16(2)13(19)10-17-7-4-11(5-8-17)18-9-6-12(14)15-18/h6,9,11H,3-5,7-8,10H2,1-2H3,(H2,14,15).
What are the key properties of 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide?
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107109646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).