N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide

C16H29N3O2 — CID 162672197

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)C
InChIInChI=1S/C16H29N3O2/c1-6-7-8-9-19-14(12(2)3)10-13(18-19)15(21)17-16(4,5)11-20/h10,12,20H,6-9,11H2,1-5H3,(H,17,21)
InChIKeyFVPNMDDLFFGZJN-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.70
Rot. Bonds8

About N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 162672197) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID162672197
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)C
InChIInChI=1S/C16H29N3O2/c1-6-7-8-9-19-14(12(2)3)10-13(18-19)15(21)17-16(4,5)11-20/h10,12,20H,6-9,11H2,1-5H3,(H,17,21)
InChIKeyFVPNMDDLFFGZJN-UHFFFAOYSA-N
XLogP2.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.70
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 N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide (CID 162672197) is N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)C.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is FVPNMDDLFFGZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-7-8-9-19-14(12(2)3)10-13(18-19)15(21)17-16(4,5)11-20/h10,12,20H,6-9,11H2,1-5H3,(H,17,21).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 162672197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).