5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

C17H18FN5O2 — CID 42197091

IUPAC5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C17H18FN5O2/c1-22(9-12-8-19-23(2)10-12)17(24)15-7-13(20-21-15)11-25-16-6-4-3-5-14(16)18/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyQAUSPQPPKOETFC-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.13
Rot. Bonds6

About 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42197091) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42197091
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C17H18FN5O2/c1-22(9-12-8-19-23(2)10-12)17(24)15-7-13(20-21-15)11-25-16-6-4-3-5-14(16)18/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyQAUSPQPPKOETFC-UHFFFAOYSA-N
XLogP2.13
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42197091) is 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is QAUSPQPPKOETFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-22(9-12-8-19-23(2)10-12)17(24)15-7-13(20-21-15)11-25-16-6-4-3-5-14(16)18/h3-8,10H,9,11H2,1-2H3,(H,20,21).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42197091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).