1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide

C17H22FN3O2 — CID 110000140

IUPAC1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CCO)C(C)C)nn1-c1cccc(F)c1
InChIInChI=1S/C17H22FN3O2/c1-11(2)15(7-8-22)19-17(23)16-9-12(3)21(20-16)14-6-4-5-13(18)10-14/h4-6,9-11,15,22H,7-8H2,1-3H3,(H,19,23)
InChIKeySAOBVUYGLYHWIC-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.46
Rot. Bonds6

About 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide

1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 110000140) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
PubChem CID110000140
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CCO)C(C)C)nn1-c1cccc(F)c1
InChIInChI=1S/C17H22FN3O2/c1-11(2)15(7-8-22)19-17(23)16-9-12(3)21(20-16)14-6-4-5-13(18)10-14/h4-6,9-11,15,22H,7-8H2,1-3H3,(H,19,23)
InChIKeySAOBVUYGLYHWIC-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide (CID 110000140) is 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(CCO)C(C)C)nn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is SAOBVUYGLYHWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-11(2)15(7-8-22)19-17(23)16-9-12(3)21(20-16)14-6-4-5-13(18)10-14/h4-6,9-11,15,22H,7-8H2,1-3H3,(H,19,23).
What are the key properties of 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110000140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).