N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide

C19H17ClN4O4 — CID 2958516

IUPACN-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1
InChIInChI=1S/C19H17ClN4O4/c20-14-4-1-2-5-15(14)24-17(22-18(25)16-6-3-9-28-16)13(12-21-24)19(26)23-7-10-27-11-8-23/h1-6,9,12H,7-8,10-11H2,(H,22,25)
InChIKeyDRISEDISKPZJOH-UHFFFAOYSA-N
MW400.82 g/mol
LogP2.84
Rot. Bonds4

About N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide

N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide (PubChem CID 2958516) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide
PubChem CID2958516
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC NameN-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1
InChIInChI=1S/C19H17ClN4O4/c20-14-4-1-2-5-15(14)24-17(22-18(25)16-6-3-9-28-16)13(12-21-24)19(26)23-7-10-27-11-8-23/h1-6,9,12H,7-8,10-11H2,(H,22,25)
InChIKeyDRISEDISKPZJOH-UHFFFAOYSA-N
XLogP2.84
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
1-(4-Chlorophenyl)-6-(furan-2-YL)-5-(3-methoxyphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990617
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
5-(2-furoylamino)-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 653788
N-[2-phenyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]furan-2-carboxamide
CID 1067684
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 1067709
N-[4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-2-furamide
CID 2213981
1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-furoylamino)-1H-pyrazole-4-carboxamide
CID 2215632
1-(4-chlorophenyl)-6-(2-furyl)-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990633
6-(2-furyl)-1,5-diphenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 1347913
1-[5-(Furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 1267978
5-(2-furoylamino)-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1284303

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide (CID 2958516) is N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide is O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1.
What is the InChIKey of N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide?
The InChIKey is DRISEDISKPZJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c20-14-4-1-2-5-15(14)24-17(22-18(25)16-6-3-9-28-16)13(12-21-24)19(26)23-7-10-27-11-8-23/h1-6,9,12H,7-8,10-11H2,(H,22,25).
What are the key properties of N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide?
N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 400.82 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 2958516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).