N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C13H23N3O3 — CID 111695048

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C13H23N3O3/c1-9(2)5-10-6-12(15-14-10)13(18)16(3)7-11(17)8-19-4/h6,9,11,17H,5,7-8H2,1-4H3,(H,14,15)
InChIKeyPJUKSMYYEJHHCJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.69
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 111695048) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID111695048
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C13H23N3O3/c1-9(2)5-10-6-12(15-14-10)13(18)16(3)7-11(17)8-19-4/h6,9,11,17H,5,7-8H2,1-4H3,(H,14,15)
InChIKeyPJUKSMYYEJHHCJ-UHFFFAOYSA-N
XLogP0.69
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 78880562
N-(2-hydroxy-3-methoxypropyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62233791
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-carboxamide
CID 104627104
1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62185684
1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
CID 79316701
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55746193
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide
CID 54993384
N-(2-hydroxy-3-methoxypropyl)-N-methyl-6-(methylamino)pyrazine-2-carboxamide
CID 114035881
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695081
5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 111695059

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 111695048) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is COCC(O)CN(C)C(=O)c1cc(CC(C)C)[nH]n1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PJUKSMYYEJHHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)5-10-6-12(15-14-10)13(18)16(3)7-11(17)8-19-4/h6,9,11,17H,5,7-8H2,1-4H3,(H,14,15).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111695048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).