5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide

C16H17FN4O2 — CID 142418136

IUPAC5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccccc2F)n1
InChIInChI=1S/C16H17FN4O2/c1-18-15(22)13-8-14(16(23)19-11-6-7-11)21(20-13)9-10-4-2-3-5-12(10)17/h2-5,8,11H,6-7,9H2,1H3,(H,18,22)(H,19,23)
InChIKeyZJAZMUJJWQHQDF-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.32
Rot. Bonds5

About 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide

5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide (PubChem CID 142418136) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
PubChem CID142418136
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccccc2F)n1
InChIInChI=1S/C16H17FN4O2/c1-18-15(22)13-8-14(16(23)19-11-6-7-11)21(20-13)9-10-4-2-3-5-12(10)17/h2-5,8,11H,6-7,9H2,1H3,(H,18,22)(H,19,23)
InChIKeyZJAZMUJJWQHQDF-UHFFFAOYSA-N
XLogP1.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide (CID 142418136) is 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccccc2F)n1.
What is the InChIKey of 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The InChIKey is ZJAZMUJJWQHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-18-15(22)13-8-14(16(23)19-11-6-7-11)21(20-13)9-10-4-2-3-5-12(10)17/h2-5,8,11H,6-7,9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide?
5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142418136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).