2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide

C11H20N4O — CID 115735326

IUPAC2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCc1[nH]ncc1C(C)NCC(=O)NC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)14-11(16)6-12-8(3)10-5-13-15-9(10)4/h5,7-8,12H,6H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyYBAFUVKZFHWVCM-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.89
Rot. Bonds5

About 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide

2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 115735326) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
PubChem CID115735326
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCc1[nH]ncc1C(C)NCC(=O)NC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)14-11(16)6-12-8(3)10-5-13-15-9(10)4/h5,7-8,12H,6H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyYBAFUVKZFHWVCM-UHFFFAOYSA-N
XLogP0.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115972018
2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol
CID 110010541
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
CID 110011191
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 115974600
2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
CID 115971740
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
4-[[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]methyl]thian-4-ol
CID 110010696
1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 115970342
5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115970276

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide (CID 115735326) is 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide is Cc1[nH]ncc1C(C)NCC(=O)NC(C)C.
What is the InChIKey of 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is YBAFUVKZFHWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)14-11(16)6-12-8(3)10-5-13-15-9(10)4/h5,7-8,12H,6H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 224.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 115735326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).