4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

C17H32N4O2 — CID 162670402

IUPAC4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)c(N)c1C(C)(C)C
InChIInChI=1S/C17H32N4O2/c1-7-8-9-10-21-14(16(2,3)4)12(18)13(20-21)15(23)19-17(5,6)11-22/h22H,7-11,18H2,1-6H3,(H,19,23)
InChIKeyKKFMYYFJMOSDSG-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.45
Rot. Bonds7

About 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (PubChem CID 162670402) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
PubChem CID162670402
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)c(N)c1C(C)(C)C
InChIInChI=1S/C17H32N4O2/c1-7-8-9-10-21-14(16(2,3)4)12(18)13(20-21)15(23)19-17(5,6)11-22/h22H,7-11,18H2,1-6H3,(H,19,23)
InChIKeyKKFMYYFJMOSDSG-UHFFFAOYSA-N
XLogP2.45
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (CID 162670402) is 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)NC(C)(C)CO)c(N)c1C(C)(C)C.
What is the InChIKey of 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The InChIKey is KKFMYYFJMOSDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-7-8-9-10-21-14(16(2,3)4)12(18)13(20-21)15(23)19-17(5,6)11-22/h22H,7-11,18H2,1-6H3,(H,19,23).
What are the key properties of 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 162670402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).