4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide

C19H18FN3O2 — CID 19285013

IUPAC4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H18FN3O2/c1-2-25-17-9-5-15(6-10-17)19(24)21-18-11-12-23(22-18)13-14-3-7-16(20)8-4-14/h3-12H,2,13H2,1H3,(H,21,22,24)
InChIKeyCJDNQLRIMRBBKY-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.72
Rot. Bonds6

About 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide

4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19285013) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19285013
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H18FN3O2/c1-2-25-17-9-5-15(6-10-17)19(24)21-18-11-12-23(22-18)13-14-3-7-16(20)8-4-14/h3-12H,2,13H2,1H3,(H,21,22,24)
InChIKeyCJDNQLRIMRBBKY-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286726
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 1246315
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835
ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 5303395
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19285013) is 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is CCOc1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is CJDNQLRIMRBBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-2-25-17-9-5-15(6-10-17)19(24)21-18-11-12-23(22-18)13-14-3-7-16(20)8-4-14/h3-12H,2,13H2,1H3,(H,21,22,24).
What are the key properties of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19285013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).