N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide

C14H25N3O2 — CID 86783567

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)NC(C)(C)CO
InChIInChI=1S/C14H25N3O2/c1-6-11(7-2)17-12(8-10(3)16-17)13(19)15-14(4,5)9-18/h8,11,18H,6-7,9H2,1-5H3,(H,15,19)
InChIKeyBJUYEORCVJBDRE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.05
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 86783567) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
PubChem CID86783567
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)NC(C)(C)CO
InChIInChI=1S/C14H25N3O2/c1-6-11(7-2)17-12(8-10(3)16-17)13(19)15-14(4,5)9-18/h8,11,18H,6-7,9H2,1-5H3,(H,15,19)
InChIKeyBJUYEORCVJBDRE-UHFFFAOYSA-N
XLogP2.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide (CID 86783567) is N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)n1nc(C)cc1C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is BJUYEORCVJBDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-11(7-2)17-12(8-10(3)16-17)13(19)15-14(4,5)9-18/h8,11,18H,6-7,9H2,1-5H3,(H,15,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.05, 6 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)-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 86783567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).