(2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

C16H27ClN4O2 — CID 120933939

IUPAC(2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cc(C2CCCCCC2)[nH]n1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-11-15(17-8-9-22-11)16(21)18-14-10-13(19-20-14)12-6-4-2-3-5-7-12;/h10-12,15,17H,2-9H2,1H3,(H2,18,19,20,21);1H/t11-,15+;/m1./s1
InChIKeyFKLHDNDXWDYCLG-BTAXJDQBSA-N
MW342.87 g/mol
LogP2.58
Rot. Bonds3

About (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120933939) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120933939
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC Name(2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cc(C2CCCCCC2)[nH]n1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-11-15(17-8-9-22-11)16(21)18-14-10-13(19-20-14)12-6-4-2-3-5-7-12;/h10-12,15,17H,2-9H2,1H3,(H2,18,19,20,21);1H/t11-,15+;/m1./s1
InChIKeyFKLHDNDXWDYCLG-BTAXJDQBSA-N
XLogP2.58
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120933939) is (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1cc(C2CCCCCC2)[nH]n1.Cl.
What is the InChIKey of (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is FKLHDNDXWDYCLG-BTAXJDQBSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-11-15(17-8-9-22-11)16(21)18-14-10-13(19-20-14)12-6-4-2-3-5-7-12;/h10-12,15,17H,2-9H2,1H3,(H2,18,19,20,21);1H/t11-,15+;/m1./s1.
What are the key properties of (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120933939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).