(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride

C15H27ClN4O2 — CID 120795461

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1c(C)nn(C)c1C.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-5-12(14-9(2)18-19(4)10(14)3)17-15(20)13-7-6-11(8-16)21-13;/h11-13H,5-8,16H2,1-4H3,(H,17,20);1H/t11-,12?,13+;/m1./s1
InChIKeyCKEJXHHCZCFBEM-CSYBZOQDSA-N
MW330.86 g/mol
LogP1.53
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120795461) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120795461
Molecular FormulaC15H27ClN4O2
Molecular Weight330.86 g/mol
Exact Mass330.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1c(C)nn(C)c1C.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-5-12(14-9(2)18-19(4)10(14)3)17-15(20)13-7-6-11(8-16)21-13;/h11-13H,5-8,16H2,1-4H3,(H,17,20);1H/t11-,12?,13+;/m1./s1
InChIKeyCKEJXHHCZCFBEM-CSYBZOQDSA-N
XLogP1.53
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride 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-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120783563
(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
CID 120794437
3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 75386997
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
(2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 137104607
2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
CID 120991191
(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide
CID 120794662
(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 97242019
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
(2S,3R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 104965374
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120796703

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride (CID 120795461) is (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride is CCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1c(C)nn(C)c1C.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is CKEJXHHCZCFBEM-CSYBZOQDSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-5-12(14-9(2)18-19(4)10(14)3)17-15(20)13-7-6-11(8-16)21-13;/h11-13H,5-8,16H2,1-4H3,(H,17,20);1H/t11-,12?,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 1.53, 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-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120795461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).