4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide

C13H24N4O2 — CID 106347925

IUPAC4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H24N4O2/c1-5-17-11(9(14)8-15-17)12(19)16-10(6-7-18)13(2,3)4/h8,10,18H,5-7,14H2,1-4H3,(H,16,19)
InChIKeyBTOKZBUYYZLPRX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.01
Rot. Bonds5

About 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide (PubChem CID 106347925) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide
PubChem CID106347925
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H24N4O2/c1-5-17-11(9(14)8-15-17)12(19)16-10(6-7-18)13(2,3)4/h8,10,18H,5-7,14H2,1-4H3,(H,16,19)
InChIKeyBTOKZBUYYZLPRX-UHFFFAOYSA-N
XLogP1.01
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide (CID 106347925) is 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide?
The InChIKey is BTOKZBUYYZLPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-17-11(9(14)8-15-17)12(19)16-10(6-7-18)13(2,3)4/h8,10,18H,5-7,14H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 106347925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).