N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide

C11H19N3O2 — CID 61247345

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)4-10(7-15)13-11(16)9-5-12-14(3)6-9/h5-6,8,10,15H,4,7H2,1-3H3,(H,13,16)
InChIKeyIBLRYXLQMAHSAJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.56
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 61247345) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID61247345
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)4-10(7-15)13-11(16)9-5-12-14(3)6-9/h5-6,8,10,15H,4,7H2,1-3H3,(H,13,16)
InChIKeyIBLRYXLQMAHSAJ-UHFFFAOYSA-N
XLogP0.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide (CID 61247345) is N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide is CC(C)CC(CO)NC(=O)c1cnn(C)c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is IBLRYXLQMAHSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)4-10(7-15)13-11(16)9-5-12-14(3)6-9/h5-6,8,10,15H,4,7H2,1-3H3,(H,13,16).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 61247345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).