N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride

C12H21ClN4O — CID 120705188

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccn(C2CCCC2)n1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-13-9-12(17)14-8-10-6-7-16(15-10)11-4-2-3-5-11;/h6-7,11,13H,2-5,8-9H2,1H3,(H,14,17);1H
InChIKeyWRWGUZNSKVLTHL-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.26
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120705188) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120705188
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccn(C2CCCC2)n1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-13-9-12(17)14-8-10-6-7-16(15-10)11-4-2-3-5-11;/h6-7,11,13H,2-5,8-9H2,1H3,(H,14,17);1H
InChIKeyWRWGUZNSKVLTHL-UHFFFAOYSA-N
XLogP1.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane
CID 171523553
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122007131
1-cyclohexyl-3-ethylpyrazole
CID 66014335
(1R,2R,3S,4R)-3-[(1-cyclopentylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124777918
(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide
CID 124573040
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 166307323
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride (CID 120705188) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCc1ccn(C2CCCC2)n1.Cl.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is WRWGUZNSKVLTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-13-9-12(17)14-8-10-6-7-16(15-10)11-4-2-3-5-11;/h6-7,11,13H,2-5,8-9H2,1H3,(H,14,17);1H.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120705188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).