5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide

C15H26FN3O2 — CID 162669636

IUPAC5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CCCF)n1
InChIInChI=1S/C15H26FN3O2/c1-14(2,3)12-9-11(18-19(12)8-6-7-16)13(21)17-15(4,5)10-20/h9,20H,6-8,10H2,1-5H3,(H,17,21)
InChIKeyYPZHWCNEQIVRGP-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.04
Rot. Bonds6

About 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide

5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 162669636) has the molecular formula C15H26FN3O2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID162669636
Molecular FormulaC15H26FN3O2
Molecular Weight299.39 g/mol
Exact Mass299.20
IUPAC Name5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CCCF)n1
InChIInChI=1S/C15H26FN3O2/c1-14(2,3)12-9-11(18-19(12)8-6-7-16)13(21)17-15(4,5)10-20/h9,20H,6-8,10H2,1-5H3,(H,17,21)
InChIKeyYPZHWCNEQIVRGP-UHFFFAOYSA-N
XLogP2.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (CID 162669636) is 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CCCF)n1.
What is the InChIKey of 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is YPZHWCNEQIVRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O2/c1-14(2,3)12-9-11(18-19(12)8-6-7-16)13(21)17-15(4,5)10-20/h9,20H,6-8,10H2,1-5H3,(H,17,21).
What are the key properties of 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 299.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 162669636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).