N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide

C10H17N3O3 — CID 103712317

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O3/c1-10(15,3-4-16-2)7-11-9(14)8-5-12-13-6-8/h5-6,15H,3-4,7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyCHFDKOHKPMPUSK-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.07
Rot. Bonds6

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide (PubChem CID 103712317) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
PubChem CID103712317
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O3/c1-10(15,3-4-16-2)7-11-9(14)8-5-12-13-6-8/h5-6,15H,3-4,7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyCHFDKOHKPMPUSK-UHFFFAOYSA-N
XLogP-0.07
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide
CID 43582437
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
CID 64991887
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
N-[2-(chloromethyl)-2-ethylbutyl]-1H-pyrazole-4-carboxamide
CID 106253346

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide (CID 103712317) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide is COCCC(C)(O)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CHFDKOHKPMPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(15,3-4-16-2)7-11-9(14)8-5-12-13-6-8/h5-6,15H,3-4,7H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103712317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).