1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide

C12H21N3O2 — CID 75498992

IUPAC1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)(CC)CCO)cn1
InChIInChI=1S/C12H21N3O2/c1-4-12(3,6-7-16)14-11(17)10-8-13-15(5-2)9-10/h8-9,16H,4-7H2,1-3H3,(H,14,17)
InChIKeyASZYGBSKIUJHTQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.18
Rot. Bonds6

About 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide

1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide (PubChem CID 75498992) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
PubChem CID75498992
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)(CC)CCO)cn1
InChIInChI=1S/C12H21N3O2/c1-4-12(3,6-7-16)14-11(17)10-8-13-15(5-2)9-10/h8-9,16H,4-7H2,1-3H3,(H,14,17)
InChIKeyASZYGBSKIUJHTQ-UHFFFAOYSA-N
XLogP1.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.18
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
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide
CID 75519336
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
CID 116590216
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496
6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110002377
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide (CID 75498992) is 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide is CCn1cc(C(=O)NC(C)(CC)CCO)cn1.
What is the InChIKey of 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide?
The InChIKey is ASZYGBSKIUJHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-12(3,6-7-16)14-11(17)10-8-13-15(5-2)9-10/h8-9,16H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide?
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 75498992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).