propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride

C11H20ClN3O2 — CID 71757919

IUPACpropan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
SMILESCc1nn(CC(=O)OC(C)C)c(C)c1CN.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-7(2)16-11(15)6-14-9(4)10(5-12)8(3)13-14;/h7H,5-6,12H2,1-4H3;1H
InChIKeyOSLJSOQJSNFYRT-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.33
Rot. Bonds4

About propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride

propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride (PubChem CID 71757919) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
PubChem CID71757919
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Namepropan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
SMILESCc1nn(CC(=O)OC(C)C)c(C)c1CN.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-7(2)16-11(15)6-14-9(4)10(5-12)8(3)13-14;/h7H,5-6,12H2,1-4H3;1H
InChIKeyOSLJSOQJSNFYRT-UHFFFAOYSA-N
XLogP1.33
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride?
The IUPAC name of propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride (CID 71757919) is propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride?
The canonical SMILES for propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride is Cc1nn(CC(=O)OC(C)C)c(C)c1CN.Cl.
What is the InChIKey of propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride?
The InChIKey is OSLJSOQJSNFYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c1-7(2)16-11(15)6-14-9(4)10(5-12)8(3)13-14;/h7H,5-6,12H2,1-4H3;1H.
What are the key properties of propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride?
propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 71757919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).