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

C19H18ClN3O2 — CID 19338195

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-2-25-18-8-6-15(7-9-18)19(24)22-17-11-21-23(13-17)12-14-4-3-5-16(20)10-14/h3-11,13H,2,12H2,1H3,(H,22,24)
InChIKeyRTAKOWNGKVDKND-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.24
Rot. Bonds6

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

N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide (PubChem CID 19338195) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
PubChem CID19338195
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-2-25-18-8-6-15(7-9-18)19(24)22-17-11-21-23(13-17)12-14-4-3-5-16(20)10-14/h3-11,13H,2,12H2,1H3,(H,22,24)
InChIKeyRTAKOWNGKVDKND-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide (CID 19338195) is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide?
The InChIKey is RTAKOWNGKVDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-2-25-18-8-6-15(7-9-18)19(24)22-17-11-21-23(13-17)12-14-4-3-5-16(20)10-14/h3-11,13H,2,12H2,1H3,(H,22,24).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide has a molecular weight of 355.83 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide is sourced from PubChem (CID 19338195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).