2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide

C11H20N4O — CID 62197855

IUPAC2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
SMILESCCCCC(C)NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H20N4O/c1-3-4-5-9(2)13-11(16)8-15-7-6-10(12)14-15/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyPNSHDHCZZCXBHQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.16
Rot. Bonds6

About 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide

2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide (PubChem CID 62197855) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
PubChem CID62197855
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
SMILESCCCCC(C)NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H20N4O/c1-3-4-5-9(2)13-11(16)8-15-7-6-10(12)14-15/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyPNSHDHCZZCXBHQ-UHFFFAOYSA-N
XLogP1.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
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CID 114004545
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2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide
CID 43575022
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
2-(3-aminopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
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1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
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CID 55035689

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide (CID 62197855) is 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide is CCCCC(C)NC(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide?
The InChIKey is PNSHDHCZZCXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-5-9(2)13-11(16)8-15-7-6-10(12)14-15/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide?
2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide has a molecular weight of 224.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide is sourced from PubChem (CID 62197855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).