1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide

C20H21ClN4O3 — CID 1053753

IUPAC1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O3/c21-15-4-1-2-5-17(15)25-18(14-16(23-25)19-6-3-11-28-19)20(26)22-7-8-24-9-12-27-13-10-24/h1-6,11,14H,7-10,12-13H2,(H,22,26)
InChIKeyQVBZBPNTEXAKHQ-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.85
Rot. Bonds6

About 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide (PubChem CID 1053753) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
PubChem CID1053753
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O3/c21-15-4-1-2-5-17(15)25-18(14-16(23-25)19-6-3-11-28-19)20(26)22-7-8-24-9-12-27-13-10-24/h1-6,11,14H,7-10,12-13H2,(H,22,26)
InChIKeyQVBZBPNTEXAKHQ-UHFFFAOYSA-N
XLogP2.85
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42762271
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514
3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 4527273
1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758968
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758609
3-(furan-2-yl)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3293826
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863946

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide (CID 1053753) is 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide?
The InChIKey is QVBZBPNTEXAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c21-15-4-1-2-5-17(15)25-18(14-16(23-25)19-6-3-11-28-19)20(26)22-7-8-24-9-12-27-13-10-24/h1-6,11,14H,7-10,12-13H2,(H,22,26).
What are the key properties of 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).