N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide

C19H24FN3O2 — CID 86797933

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide
SMILESCCCc1[nH]ncc1C(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H24FN3O2/c1-2-4-17-16(12-22-23-17)18(24)21-13-19(7-9-25-10-8-19)14-5-3-6-15(20)11-14/h3,5-6,11-12H,2,4,7-10,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyOOICLHMYJIDCND-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.98
Rot. Bonds6

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide (PubChem CID 86797933) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide
PubChem CID86797933
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide
SMILESCCCc1[nH]ncc1C(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H24FN3O2/c1-2-4-17-16(12-22-23-17)18(24)21-13-19(7-9-25-10-8-19)14-5-3-6-15(20)11-14/h3,5-6,11-12H,2,4,7-10,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyOOICLHMYJIDCND-UHFFFAOYSA-N
XLogP2.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide (CID 86797933) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide is CCCc1[nH]ncc1C(=O)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is OOICLHMYJIDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-2-4-17-16(12-22-23-17)18(24)21-13-19(7-9-25-10-8-19)14-5-3-6-15(20)11-14/h3,5-6,11-12H,2,4,7-10,13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86797933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).