3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide

C18H17FN4O2 — CID 138020306

IUPAC3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide
SMILESCCn1nc(C2CC2)cc1C(=O)Nc1nc(-c2ccccc2F)co1
InChIInChI=1S/C18H17FN4O2/c1-2-23-16(9-14(22-23)11-7-8-11)17(24)21-18-20-15(10-25-18)12-5-3-4-6-13(12)19/h3-6,9-11H,2,7-8H2,1H3,(H,20,21,24)
InChIKeyCUGYMOYDNCBYHJ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.83
Rot. Bonds5

About 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide

3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide (PubChem CID 138020306) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide
PubChem CID138020306
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide
SMILESCCn1nc(C2CC2)cc1C(=O)Nc1nc(-c2ccccc2F)co1
InChIInChI=1S/C18H17FN4O2/c1-2-23-16(9-14(22-23)11-7-8-11)17(24)21-18-20-15(10-25-18)12-5-3-4-6-13(12)19/h3-6,9-11H,2,7-8H2,1H3,(H,20,21,24)
InChIKeyCUGYMOYDNCBYHJ-UHFFFAOYSA-N
XLogP3.83
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide (CID 138020306) is 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide is CCn1nc(C2CC2)cc1C(=O)Nc1nc(-c2ccccc2F)co1.
What is the InChIKey of 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is CUGYMOYDNCBYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-2-23-16(9-14(22-23)11-7-8-11)17(24)21-18-20-15(10-25-18)12-5-3-4-6-13(12)19/h3-6,9-11H,2,7-8H2,1H3,(H,20,21,24).
What are the key properties of 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide?
3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-N-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 138020306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).