1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

C22H24Cl2N4O3 — CID 3546360

IUPAC1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)n(-c3ccc(Cl)c(Cl)c3)n2)o1
InChIInChI=1S/C22H24Cl2N4O3/c1-15-3-6-21(31-15)19-14-20(28(26-19)16-4-5-17(23)18(24)13-16)22(29)25-7-2-8-27-9-11-30-12-10-27/h3-6,13-14H,2,7-12H2,1H3,(H,25,29)
InChIKeyMAFQFCCLOKPSNC-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.20
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (PubChem CID 3546360) has the molecular formula C22H24Cl2N4O3 and a molecular weight of 463.37 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
PubChem CID3546360
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)n(-c3ccc(Cl)c(Cl)c3)n2)o1
InChIInChI=1S/C22H24Cl2N4O3/c1-15-3-6-21(31-15)19-14-20(28(26-19)16-4-5-17(23)18(24)13-16)22(29)25-7-2-8-27-9-11-30-12-10-27/h3-6,13-14H,2,7-12H2,1H3,(H,25,29)
InChIKeyMAFQFCCLOKPSNC-UHFFFAOYSA-N
XLogP4.20
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 3321117
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 5187683
3-(furan-2-yl)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3293826
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
CID 3891235
1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4297341
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378
N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 42759616
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 42755387

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (CID 3546360) is 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)n(-c3ccc(Cl)c(Cl)c3)n2)o1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The InChIKey is MAFQFCCLOKPSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3/c1-15-3-6-21(31-15)19-14-20(28(26-19)16-4-5-17(23)18(24)13-16)22(29)25-7-2-8-27-9-11-30-12-10-27/h3-6,13-14H,2,7-12H2,1H3,(H,25,29).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide has a molecular weight of 463.37 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3546360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).