1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

C18H19ClN4O2 — CID 112811290

IUPAC1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O2/c1-22(2)10-9-20-18(24)15-12-16(17-4-3-11-25-17)23(21-15)14-7-5-13(19)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)
InChIKeyUWDGFNIFXHBKDF-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 112811290) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID112811290
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O2/c1-22(2)10-9-20-18(24)15-12-16(17-4-3-11-25-17)23(21-15)14-7-5-13(19)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)
InChIKeyUWDGFNIFXHBKDF-UHFFFAOYSA-N
XLogP3.08
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 24631709
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 48730832
1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55805611
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 17491464
1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 86906330
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide
CID 55862493
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 46528953
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 30391460
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 32688634
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide (CID 112811290) is 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is UWDGFNIFXHBKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-22(2)10-9-20-18(24)15-12-16(17-4-3-11-25-17)23(21-15)14-7-5-13(19)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 112811290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).