1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide

C12H21N3O2 — CID 111484338

IUPAC1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC(C)(O)C(C)C)cn1
InChIInChI=1S/C12H21N3O2/c1-5-15-7-10(6-14-15)11(16)13-8-12(4,17)9(2)3/h6-7,9,17H,5,8H2,1-4H3,(H,13,16)
InChIKeySABMZKDFHCCSLT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.04
Rot. Bonds5

About 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide

1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide (PubChem CID 111484338) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
PubChem CID111484338
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC(C)(O)C(C)C)cn1
InChIInChI=1S/C12H21N3O2/c1-5-15-7-10(6-14-15)11(16)13-8-12(4,17)9(2)3/h6-7,9,17H,5,8H2,1-4H3,(H,13,16)
InChIKeySABMZKDFHCCSLT-UHFFFAOYSA-N
XLogP1.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
CID 111481472
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide
CID 75519336
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
tert-butyl 1-ethylpyrazole-4-carboxylate
CID 175447582
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
CID 116590216
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
CID 75498992
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
1-(2-hydroxy-2,3-dimethylbutyl)-3-(1-propylpyrazol-4-yl)urea
CID 111475599

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide (CID 111484338) is 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide is CCn1cc(C(=O)NCC(C)(O)C(C)C)cn1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide?
The InChIKey is SABMZKDFHCCSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-15-7-10(6-14-15)11(16)13-8-12(4,17)9(2)3/h6-7,9,17H,5,8H2,1-4H3,(H,13,16).
What are the key properties of 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide?
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111484338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).