N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide

C11H19N3O3 — CID 113343557

IUPACN-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCC(O)CCNC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C11H19N3O3/c1-8-6-10(13-14(8)2)11(16)12-5-4-9(15)7-17-3/h6,9,15H,4-5,7H2,1-3H3,(H,12,16)
InChIKeySMUWOOXGKUHICB-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.14
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide

N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 113343557) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID113343557
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCC(O)CCNC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C11H19N3O3/c1-8-6-10(13-14(8)2)11(16)12-5-4-9(15)7-17-3/h6,9,15H,4-5,7H2,1-3H3,(H,12,16)
InChIKeySMUWOOXGKUHICB-UHFFFAOYSA-N
XLogP-0.14
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 162664964
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
(3R*,4R*)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-4-ethylpiperidine-3,4-diol
CID 70726104
1-ethyl-3-isopropyl-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
CID 70735757
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinyl}methanol
CID 72859886
3-(aminomethyl)-1-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]pyrazole-5-carboxamide;hydrobromide
CID 90668982
3-(aminomethyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-5-carboxamide;hydrobromide
CID 90668984
(2,5-dimethylpyrazol-3-yl)-[(6R)-6-methoxy-1,4-oxazepan-4-yl]methanone
CID 75536885
1,5-anhydro-2,3-dideoxy-4-O-(2-hydroxyethyl)-3-{[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]amino}-D-threo-pentitol
CID 91762369
N-(3-methoxypropyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 91891206
5-(1,5-Dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201393
7-hydroxy-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53367339

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide (CID 113343557) is N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide is COCC(O)CCNC(=O)c1cc(C)n(C)n1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SMUWOOXGKUHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-6-10(13-14(8)2)11(16)12-5-4-9(15)7-17-3/h6,9,15H,4-5,7H2,1-3H3,(H,12,16).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 113343557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).