phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate

C19H18FN3O3 — CID 118128540

IUPACphenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
SMILESCc1c(OCCF)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C19H18FN3O3/c1-14-17(21-19(24)26-16-10-6-3-7-11-16)23(15-8-4-2-5-9-15)22-18(14)25-13-12-20/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyVMDQJGQJNIMGDF-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.14
Rot. Bonds6

About phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate

phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate (PubChem CID 118128540) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
PubChem CID118128540
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Namephenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
SMILESCc1c(OCCF)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C19H18FN3O3/c1-14-17(21-19(24)26-16-10-6-3-7-11-16)23(15-8-4-2-5-9-15)22-18(14)25-13-12-20/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyVMDQJGQJNIMGDF-UHFFFAOYSA-N
XLogP4.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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phenyl N-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]carbamate
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phenyl N-[4-bromo-3-(3-hydroxybutan-2-yloxy)-1-phenylpyrazol-5-yl]carbamate
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[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
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phenyl 3-methyl-5-[4-methyl-5-(phenoxycarbonylamino)-1-phenylpyrazol-3-yl]imidazol-3-ium-1-carboxylate
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1-[3-[(2S)-2-hydroxy-3-methoxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-methylurea
CID 126548143
4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxybutanal
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate (CID 118128540) is phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate is Cc1c(OCCF)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is VMDQJGQJNIMGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-14-17(21-19(24)26-16-10-6-3-7-11-16)23(15-8-4-2-5-9-15)22-18(14)25-13-12-20/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate?
phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 355.37 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 118128540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).