N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride

C16H21ClN4O2 — CID 119788735

IUPACN-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1cccc(-n2cccn2)c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-12(19-16(21)15-11-17-7-9-22-15)13-4-2-5-14(10-13)20-8-3-6-18-20;/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21);1H
InChIKeyIUNLYTUJKVRHER-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.46
Rot. Bonds4

About N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride

N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119788735) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119788735
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1cccc(-n2cccn2)c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-12(19-16(21)15-11-17-7-9-22-15)13-4-2-5-14(10-13)20-8-3-6-18-20;/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21);1H
InChIKeyIUNLYTUJKVRHER-UHFFFAOYSA-N
XLogP1.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119900435
(2R,3S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120933166
N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119685359
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide
CID 120793588
cis-(1R,2S)-2-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119060
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 120933170
3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788707
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
(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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride (CID 119788735) is N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride is CC(NC(=O)C1CNCCO1)c1cccc(-n2cccn2)c1.Cl.
What is the InChIKey of N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is IUNLYTUJKVRHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-12(19-16(21)15-11-17-7-9-22-15)13-4-2-5-14(10-13)20-8-3-6-18-20;/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21);1H.
What are the key properties of N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119788735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).