N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide

C19H17Cl2N3O2 — CID 1236024

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-2-26-16-6-4-14(5-7-16)19(25)23-15-10-22-24(12-15)11-13-3-8-17(20)18(21)9-13/h3-10,12H,2,11H2,1H3,(H,23,25)
InChIKeyLVYLRHZFTXQJCR-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.89
Rot. Bonds6

About N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide (PubChem CID 1236024) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
PubChem CID1236024
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-2-26-16-6-4-14(5-7-16)19(25)23-15-10-22-24(12-15)11-13-3-8-17(20)18(21)9-13/h3-10,12H,2,11H2,1H3,(H,23,25)
InChIKeyLVYLRHZFTXQJCR-UHFFFAOYSA-N
XLogP4.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide (CID 1236024) is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide?
The InChIKey is LVYLRHZFTXQJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-2-26-16-6-4-14(5-7-16)19(25)23-15-10-22-24(12-15)11-13-3-8-17(20)18(21)9-13/h3-10,12H,2,11H2,1H3,(H,23,25).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide has a molecular weight of 390.27 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide is sourced from PubChem (CID 1236024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).