2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide

C10H18N4O3 — CID 114162948

IUPAC2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C10H18N4O3/c1-17-7-9(15)2-3-12-10(16)6-14-5-8(11)4-13-14/h4-5,9,15H,2-3,6-7,11H2,1H3,(H,12,16)
InChIKeyFCATYVZDIIMNSN-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.02
Rot. Bonds7

About 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide (PubChem CID 114162948) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
PubChem CID114162948
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C10H18N4O3/c1-17-7-9(15)2-3-12-10(16)6-14-5-8(11)4-13-14/h4-5,9,15H,2-3,6-7,11H2,1H3,(H,12,16)
InChIKeyFCATYVZDIIMNSN-UHFFFAOYSA-N
XLogP-1.02
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide (CID 114162948) is 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide is COCC(O)CCNC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The InChIKey is FCATYVZDIIMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-17-7-9(15)2-3-12-10(16)6-14-5-8(11)4-13-14/h4-5,9,15H,2-3,6-7,11H2,1H3,(H,12,16).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide has a molecular weight of 242.28 g/mol, XLogP of -1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide is sourced from PubChem (CID 114162948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).