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

C15H16FN3O2 — CID 19514409

IUPAC3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H16FN3O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h3-6,8,12H,1-2,7,9H2,(H,17,20)(H,18,19)
InChIKeyIXUYDHUORTZBDZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.12
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514409) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID19514409
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H16FN3O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h3-6,8,12H,1-2,7,9H2,(H,17,20)(H,18,19)
InChIKeyIXUYDHUORTZBDZ-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 19514409) is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IXUYDHUORTZBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h3-6,8,12H,1-2,7,9H2,(H,17,20)(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).