(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride

C13H23ClN4O2 — CID 120794437

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
SMILESCCn1nc(C)c(NC(=O)[C@@H]2CC[C@H](CN)O2)c1C.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-4-17-9(3)12(8(2)16-17)15-13(18)11-6-5-10(7-14)19-11;/h10-11H,4-7,14H2,1-3H3,(H,15,18);1H/t10-,11+;/m1./s1
InChIKeyYBONOYATQFPQPL-DHXVBOOMSA-N
MW302.81 g/mol
LogP1.39
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120794437) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120794437
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
SMILESCCn1nc(C)c(NC(=O)[C@@H]2CC[C@H](CN)O2)c1C.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-4-17-9(3)12(8(2)16-17)15-13(18)11-6-5-10(7-14)19-11;/h10-11H,4-7,14H2,1-3H3,(H,15,18);1H/t10-,11+;/m1./s1
InChIKeyYBONOYATQFPQPL-DHXVBOOMSA-N
XLogP1.39
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120783563
(2S,5R)-5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120784117
2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
CID 130639181
(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783473
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
CID 95805150
(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120795461
(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-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 120788522
(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
CID 120790106

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride (CID 120794437) is (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride is CCn1nc(C)c(NC(=O)[C@@H]2CC[C@H](CN)O2)c1C.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is YBONOYATQFPQPL-DHXVBOOMSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-4-17-9(3)12(8(2)16-17)15-13(18)11-6-5-10(7-14)19-11;/h10-11H,4-7,14H2,1-3H3,(H,15,18);1H/t10-,11+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 1.39, 4 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-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120794437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).