4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

C20H23ClN4O2 — CID 51145098

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NCC(c3ccco3)N(C)C)cc2)c(C)c1Cl
InChIInChI=1S/C20H23ClN4O2/c1-13-19(21)14(2)25(23-13)16-9-7-15(8-10-16)20(26)22-12-17(24(3)4)18-6-5-11-27-18/h5-11,17H,12H2,1-4H3,(H,22,26)
InChIKeyQORHUNNUBUWZNA-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.77
Rot. Bonds6

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 51145098) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID51145098
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NCC(c3ccco3)N(C)C)cc2)c(C)c1Cl
InChIInChI=1S/C20H23ClN4O2/c1-13-19(21)14(2)25(23-13)16-9-7-15(8-10-16)20(26)22-12-17(24(3)4)18-6-5-11-27-18/h5-11,17H,12H2,1-4H3,(H,22,26)
InChIKeyQORHUNNUBUWZNA-UHFFFAOYSA-N
XLogP3.77
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 19114423
4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide
CID 51145123
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792596
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552295
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905200

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 51145098) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is Cc1nn(-c2ccc(C(=O)NCC(c3ccco3)N(C)C)cc2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is QORHUNNUBUWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-13-19(21)14(2)25(23-13)16-9-7-15(8-10-16)20(26)22-12-17(24(3)4)18-6-5-11-27-18/h5-11,17H,12H2,1-4H3,(H,22,26).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 386.88 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 51145098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).