N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride

C12H22Cl2N4O — CID 119572498

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1cc(CC(=O)NC(C)(CN)C2CC2)cn1
InChIInChI=1S/C12H20N4O.2ClH/c1-12(8-13,10-3-4-10)15-11(17)5-9-6-14-16(2)7-9;;/h6-7,10H,3-5,8,13H2,1-2H3,(H,15,17);2*1H
InChIKeyXJQJANJRHOHQBW-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.05
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride (PubChem CID 119572498) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
PubChem CID119572498
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1cc(CC(=O)NC(C)(CN)C2CC2)cn1
InChIInChI=1S/C12H20N4O.2ClH/c1-12(8-13,10-3-4-10)15-11(17)5-9-6-14-16(2)7-9;;/h6-7,10H,3-5,8,13H2,1-2H3,(H,15,17);2*1H
InChIKeyXJQJANJRHOHQBW-UHFFFAOYSA-N
XLogP1.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 119597627
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenyl)acetamide;hydrochloride
CID 119574165
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 119572218
2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 106489762
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 119572405
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide
CID 119572438
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119575571
N-(1-amino-2-cyclopropylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119574755
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116610954
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methylpyridine-3-carboxamide
CID 81487644

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride (CID 119572498) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride is Cl.Cl.Cn1cc(CC(=O)NC(C)(CN)C2CC2)cn1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride?
The InChIKey is XJQJANJRHOHQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-12(8-13,10-3-4-10)15-11(17)5-9-6-14-16(2)7-9;;/h6-7,10H,3-5,8,13H2,1-2H3,(H,15,17);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119572498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).