5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

C19H33N3O2 — CID 162668965

IUPAC5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1C1CCCCC1
InChIInChI=1S/C19H33N3O2/c1-4-5-9-12-22-17(15-10-7-6-8-11-15)13-16(21-22)18(24)20-19(2,3)14-23/h13,15,23H,4-12,14H2,1-3H3,(H,20,24)
InChIKeyUJWJTEIYWBCRRB-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.62
Rot. Bonds8

About 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (PubChem CID 162668965) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
PubChem CID162668965
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1C1CCCCC1
InChIInChI=1S/C19H33N3O2/c1-4-5-9-12-22-17(15-10-7-6-8-11-15)13-16(21-22)18(24)20-19(2,3)14-23/h13,15,23H,4-12,14H2,1-3H3,(H,20,24)
InChIKeyUJWJTEIYWBCRRB-UHFFFAOYSA-N
XLogP3.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.62
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-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The IUPAC name of 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (CID 162668965) is 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)NC(C)(C)CO)cc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The InChIKey is UJWJTEIYWBCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-5-9-12-22-17(15-10-7-6-8-11-15)13-16(21-22)18(24)20-19(2,3)14-23/h13,15,23H,4-12,14H2,1-3H3,(H,20,24).
What are the key properties of 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 162668965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).