5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

C19H25F2N3O2 — CID 162668533

IUPAC5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1-c1ccc(F)cc1F
InChIInChI=1S/C19H25F2N3O2/c1-4-5-6-9-24-17(14-8-7-13(20)10-15(14)21)11-16(23-24)18(26)22-19(2,3)12-25/h7-8,10-11,25H,4-6,9,12H2,1-3H3,(H,22,26)
InChIKeyXGPXRQHIIWSONU-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.52
Rot. Bonds8

About 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (PubChem CID 162668533) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
PubChem CID162668533
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1-c1ccc(F)cc1F
InChIInChI=1S/C19H25F2N3O2/c1-4-5-6-9-24-17(14-8-7-13(20)10-15(14)21)11-16(23-24)18(26)22-19(2,3)12-25/h7-8,10-11,25H,4-6,9,12H2,1-3H3,(H,22,26)
InChIKeyXGPXRQHIIWSONU-UHFFFAOYSA-N
XLogP3.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (CID 162668533) is 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)NC(C)(C)CO)cc1-c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The InChIKey is XGPXRQHIIWSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-4-5-6-9-24-17(14-8-7-13(20)10-15(14)21)11-16(23-24)18(26)22-19(2,3)12-25/h7-8,10-11,25H,4-6,9,12H2,1-3H3,(H,22,26).
What are the key properties of 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 162668533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).