(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride

C12H21ClN4O3 — CID 120791533

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
SMILESCOCCn1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)n1.Cl
InChIInChI=1S/C12H20N4O3.ClH/c1-18-7-6-16-5-4-11(15-16)14-12(17)10-3-2-9(8-13)19-10;/h4-5,9-10H,2-3,6-8,13H2,1H3,(H,14,15,17);1H/t9-,10+;/m1./s1
InChIKeyDMQLYDBWWHWKSF-UXQCFNEQSA-N
MW304.78 g/mol
LogP0.40
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120791533) has the molecular formula C12H21ClN4O3 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
PubChem CID120791533
Molecular FormulaC12H21ClN4O3
Molecular Weight304.78 g/mol
Exact Mass304.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
SMILESCOCCn1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)n1.Cl
InChIInChI=1S/C12H20N4O3.ClH/c1-18-7-6-16-5-4-11(15-16)14-12(17)10-3-2-9(8-13)19-10;/h4-5,9-10H,2-3,6-8,13H2,1H3,(H,14,15,17);1H/t9-,10+;/m1./s1
InChIKeyDMQLYDBWWHWKSF-UXQCFNEQSA-N
XLogP0.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314318
(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120783563
7-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]heptanamide;hydrochloride
CID 119767680
(2S,5R)-5-(aminomethyl)-N-(2-methylpyrazol-3-yl)oxolane-2-carboxamide
CID 120786012
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
(2S,5R)-5-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxolane-2-carboxamide
CID 120787434
5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide
CID 116786747
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
2-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]pentanamide;hydrochloride
CID 119314328
(2S,5R)-5-(aminomethyl)-N-(1-methyl-2-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 120793010
5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide
CID 120630096

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride (CID 120791533) is (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride is COCCn1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)n1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is DMQLYDBWWHWKSF-UXQCFNEQSA-N. The full InChI is InChI=1S/C12H20N4O3.ClH/c1-18-7-6-16-5-4-11(15-16)14-12(17)10-3-2-9(8-13)19-10;/h4-5,9-10H,2-3,6-8,13H2,1H3,(H,14,15,17);1H/t9-,10+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120791533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).