N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide

C18H17ClN4O3 — CID 126792095

IUPACN-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CCOC(c2ccco2)C1
InChIInChI=1S/C18H17ClN4O3/c19-14-11-13(4-5-15(14)23-7-2-6-20-23)21-18(24)22-8-10-26-17(12-22)16-3-1-9-25-16/h1-7,9,11,17H,8,10,12H2,(H,21,24)
InChIKeyQQKYYBBWSCXFLZ-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.72
Rot. Bonds3

About N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide

N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide (PubChem CID 126792095) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide
PubChem CID126792095
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CCOC(c2ccco2)C1
InChIInChI=1S/C18H17ClN4O3/c19-14-11-13(4-5-15(14)23-7-2-6-20-23)21-18(24)22-8-10-26-17(12-22)16-3-1-9-25-16/h1-7,9,11,17H,8,10,12H2,(H,21,24)
InChIKeyQQKYYBBWSCXFLZ-UHFFFAOYSA-N
XLogP3.72
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 99601315
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078984
2-(furan-2-yl)-N-(1-propylindol-6-yl)morpholine-4-carboxamide
CID 126786711
2-(furan-2-yl)-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)morpholine-4-carboxamide
CID 167977980
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930805
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 124619649
N'-(3-chloro-4-pyrazol-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95156596
N-(3-chloro-4-imidazol-1-ylphenyl)-6-hydroxy-1,4-oxazepane-4-carboxamide
CID 72863903
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
CID 124851606

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide (CID 126792095) is N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide is O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CCOC(c2ccco2)C1.
What is the InChIKey of N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide?
The InChIKey is QQKYYBBWSCXFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-14-11-13(4-5-15(14)23-7-2-6-20-23)21-18(24)22-8-10-26-17(12-22)16-3-1-9-25-16/h1-7,9,11,17H,8,10,12H2,(H,21,24).
What are the key properties of N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide?
N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 126792095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).