N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride

C10H18Cl2N4O — CID 119616076

IUPACN-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)Cn1cccn1)C1CC1
InChIInChI=1S/C10H16N4O.2ClH/c11-6-9(8-2-3-8)13-10(15)7-14-5-1-4-12-14;;/h1,4-5,8-9H,2-3,6-7,11H2,(H,13,15);2*1H
InChIKeyXTWRKFCRNUJPQW-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.58
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride (PubChem CID 119616076) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride
PubChem CID119616076
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)Cn1cccn1)C1CC1
InChIInChI=1S/C10H16N4O.2ClH/c11-6-9(8-2-3-8)13-10(15)7-14-5-1-4-12-14;;/h1,4-5,8-9H,2-3,6-7,11H2,(H,13,15);2*1H
InChIKeyXTWRKFCRNUJPQW-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide
CID 170897061
N-(2-amino-1-cyclohexylethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride
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CID 79252208
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N-(2-amino-1-cyclopropylethyl)-N',N'-dimethylpropanediamide;hydrochloride
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N-ethoxy-2-pyrazol-1-ylacetamide
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CID 103782364

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride (CID 119616076) is N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride is Cl.Cl.NCC(NC(=O)Cn1cccn1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride?
The InChIKey is XTWRKFCRNUJPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c11-6-9(8-2-3-8)13-10(15)7-14-5-1-4-12-14;;/h1,4-5,8-9H,2-3,6-7,11H2,(H,13,15);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride is sourced from PubChem (CID 119616076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).