(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide

C16H20N4O2 — CID 120788956

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)O1
InChIInChI=1S/C16H20N4O2/c17-8-14-6-7-15(22-14)16(21)19-13-9-18-20(11-13)10-12-4-2-1-3-5-12/h1-5,9,11,14-15H,6-8,10,17H2,(H,19,21)/t14-,15+/m1/s1
InChIKeyVIDCVKFYIDWSIT-CABCVRRESA-N
MW300.36 g/mol
LogP1.38
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide (PubChem CID 120788956) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide
PubChem CID120788956
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)O1
InChIInChI=1S/C16H20N4O2/c17-8-14-6-7-15(22-14)16(21)19-13-9-18-20(11-13)10-12-4-2-1-3-5-12/h1-5,9,11,14-15H,6-8,10,17H2,(H,19,21)/t14-,15+/m1/s1
InChIKeyVIDCVKFYIDWSIT-CABCVRRESA-N
XLogP1.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794258
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794110
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide;hydrochloride
CID 120794109
3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 3439709
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 166358020
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
5-amino-N-(1-benzylpyrazol-4-yl)pyrazolidine-3-carboxamide
CID 77042902
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-[3-(benzylsulfonylmethyl)phenyl]oxolane-2-carboxamide
CID 120794006
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide (CID 120788956) is (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide?
The InChIKey is VIDCVKFYIDWSIT-CABCVRRESA-N. The full InChI is InChI=1S/C16H20N4O2/c17-8-14-6-7-15(22-14)16(21)19-13-9-18-20(11-13)10-12-4-2-1-3-5-12/h1-5,9,11,14-15H,6-8,10,17H2,(H,19,21)/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.38, 5 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-benzylpyrazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120788956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).