1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide

C21H20FN3O2 — CID 42818206

IUPAC1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn(-c2cccc(F)c2)c1-c1ccccc1
InChIInChI=1S/C21H20FN3O2/c22-16-8-4-9-17(12-16)25-20(15-6-2-1-3-7-15)19(14-24-25)21(26)23-13-18-10-5-11-27-18/h1-4,6-9,12,14,18H,5,10-11,13H2,(H,23,26)
InChIKeyXXYVRZXDCQNSMV-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.59
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide

1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide (PubChem CID 42818206) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide
PubChem CID42818206
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn(-c2cccc(F)c2)c1-c1ccccc1
InChIInChI=1S/C21H20FN3O2/c22-16-8-4-9-17(12-16)25-20(15-6-2-1-3-7-15)19(14-24-25)21(26)23-13-18-10-5-11-27-18/h1-4,6-9,12,14,18H,5,10-11,13H2,(H,23,26)
InChIKeyXXYVRZXDCQNSMV-UHFFFAOYSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide (CID 42818206) is 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide is O=C(NCC1CCCO1)c1cnn(-c2cccc(F)c2)c1-c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide?
The InChIKey is XXYVRZXDCQNSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-16-8-4-9-17(12-16)25-20(15-6-2-1-3-7-15)19(14-24-25)21(26)23-13-18-10-5-11-27-18/h1-4,6-9,12,14,18H,5,10-11,13H2,(H,23,26).
What are the key properties of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide?
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 42818206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).