(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide

C17H22N4O2 — CID 120793588

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H22N4O2/c1-12(20-17(22)16-7-6-15(11-18)23-16)13-4-2-5-14(10-13)21-9-3-8-19-21/h2-5,8-10,12,15-16H,6-7,11,18H2,1H3,(H,20,22)/t12?,15-,16+/m1/s1
InChIKeyRNJGUASCXGKZHQ-AGIABQAESA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 120793588) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID120793588
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H22N4O2/c1-12(20-17(22)16-7-6-15(11-18)23-16)13-4-2-5-14(10-13)21-9-3-8-19-21/h2-5,8-10,12,15-16H,6-7,11,18H2,1H3,(H,20,22)/t12?,15-,16+/m1/s1
InChIKeyRNJGUASCXGKZHQ-AGIABQAESA-N
XLogP1.56
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]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-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
CID 81410076
3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788707
N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119788735
(2S,5R)-5-(aminomethyl)-N-[1-(3-nitrophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787079
cis-(1R,2S)-2-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119060
(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784096
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
(2S,5R)-5-(aminomethyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798285
(1R,2R,3R,4R)-3-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124865201
(2R,3S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120933166

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide (CID 120793588) is (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide is CC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccc(-n2cccn2)c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is RNJGUASCXGKZHQ-AGIABQAESA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(20-17(22)16-7-6-15(11-18)23-16)13-4-2-5-14(10-13)21-9-3-8-19-21/h2-5,8-10,12,15-16H,6-7,11,18H2,1H3,(H,20,22)/t12?,15-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.56, 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-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120793588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).