N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide

C11H19N3O2 — CID 103862125

IUPACN-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
SMILESCC(CO)CCCNC(=O)c1ccnn1C
InChIInChI=1S/C11H19N3O2/c1-9(8-15)4-3-6-12-11(16)10-5-7-13-14(10)2/h5,7,9,15H,3-4,6,8H2,1-2H3,(H,12,16)
InChIKeyDMILGJNSCJPGPC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.56
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide

N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide (PubChem CID 103862125) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
PubChem CID103862125
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
SMILESCC(CO)CCCNC(=O)c1ccnn1C
InChIInChI=1S/C11H19N3O2/c1-9(8-15)4-3-6-12-11(16)10-5-7-13-14(10)2/h5,7,9,15H,3-4,6,8H2,1-2H3,(H,12,16)
InChIKeyDMILGJNSCJPGPC-UHFFFAOYSA-N
XLogP0.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
CID 106243123
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
CID 61344724
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 103862250
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide (CID 103862125) is N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide is CC(CO)CCCNC(=O)c1ccnn1C.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is DMILGJNSCJPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(8-15)4-3-6-12-11(16)10-5-7-13-14(10)2/h5,7,9,15H,3-4,6,8H2,1-2H3,(H,12,16).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide?
N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103862125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).