N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride

C14H16Cl2N4O2 — CID 119773577

IUPACN-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C14H15ClN4O2.ClH/c15-10-2-1-3-11(8-10)19-13(4-5-17-19)18-14(20)12-9-16-6-7-21-12;/h1-5,8,12,16H,6-7,9H2,(H,18,20);1H
InChIKeyCGFSLLDWFYRGQJ-UHFFFAOYSA-N
MW343.21 g/mol
LogP1.87
Rot. Bonds3

About N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride

N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119773577) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119773577
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC NameN-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C14H15ClN4O2.ClH/c15-10-2-1-3-11(8-10)19-13(4-5-17-19)18-14(20)12-9-16-6-7-21-12;/h1-5,8,12,16H,6-7,9H2,(H,18,20);1H
InChIKeyCGFSLLDWFYRGQJ-UHFFFAOYSA-N
XLogP1.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride (CID 119773577) is N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CNCCO1.
What is the InChIKey of N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is CGFSLLDWFYRGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2.ClH/c15-10-2-1-3-11(8-10)19-13(4-5-17-19)18-14(20)12-9-16-6-7-21-12;/h1-5,8,12,16H,6-7,9H2,(H,18,20);1H.
What are the key properties of N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride?
N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 343.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119773577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).