N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide

C16H18FN3O2 — CID 39853786

IUPACN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
SMILESCc1nn(COc2cccc(F)c2)c(C)c1NC(=O)C1CC1
InChIInChI=1S/C16H18FN3O2/c1-10-15(18-16(21)12-6-7-12)11(2)20(19-10)9-22-14-5-3-4-13(17)8-14/h3-5,8,12H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyNPUNULBJWZADON-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.02
Rot. Bonds5

About N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide

N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 39853786) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
PubChem CID39853786
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
SMILESCc1nn(COc2cccc(F)c2)c(C)c1NC(=O)C1CC1
InChIInChI=1S/C16H18FN3O2/c1-10-15(18-16(21)12-6-7-12)11(2)20(19-10)9-22-14-5-3-4-13(17)8-14/h3-5,8,12H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyNPUNULBJWZADON-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491363
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide
CID 39853695
1-(2,5-dimethylphenyl)-3-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 39853313
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclohexanecarboxamide
CID 19405937
2-[2-[[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485754
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylbenzenesulfonamide
CID 39734380
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclobutanecarboxamide
CID 35592842
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 39734396
1-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 35592263
N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 35525590
N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 35525484
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 19346724

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide (CID 39853786) is N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide is Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)C1CC1.
What is the InChIKey of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is NPUNULBJWZADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-15(18-16(21)12-6-7-12)11(2)20(19-10)9-22-14-5-3-4-13(17)8-14/h3-5,8,12H,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide?
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 303.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 39853786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).