(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride

C11H19ClN4O2 — CID 120783563

IUPAC(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)[C@@H]2CC[C@H](CN)O2)n(C)n1.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-7-5-10(15(2)14-7)13-11(16)9-4-3-8(6-12)17-9;/h5,8-9H,3-4,6,12H2,1-2H3,(H,13,16);1H/t8-,9+;/m1./s1
InChIKeyFYZYHUQWIFOFHC-RJUBDTSPSA-N
MW274.75 g/mol
LogP0.60
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120783563) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120783563
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)[C@@H]2CC[C@H](CN)O2)n(C)n1.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-7-5-10(15(2)14-7)13-11(16)9-4-3-8(6-12)17-9;/h5,8-9H,3-4,6,12H2,1-2H3,(H,13,16);1H/t8-,9+;/m1./s1
InChIKeyFYZYHUQWIFOFHC-RJUBDTSPSA-N
XLogP0.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-methylpyrazol-3-yl)oxolane-2-carboxamide
CID 120786012
(2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120785325
(2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 137104607
(2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120796703
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783473
5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
CID 107600048
(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120795461
(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120791533
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783305
(2S,5R)-5-(aminomethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783279

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride (CID 120783563) is (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride is Cc1cc(NC(=O)[C@@H]2CC[C@H](CN)O2)n(C)n1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is FYZYHUQWIFOFHC-RJUBDTSPSA-N. The full InChI is InChI=1S/C11H18N4O2.ClH/c1-7-5-10(15(2)14-7)13-11(16)9-4-3-8(6-12)17-9;/h5,8-9H,3-4,6,12H2,1-2H3,(H,13,16);1H/t8-,9+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120783563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).