3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide

C9H16N4O2 — CID 65103461

IUPAC3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H16N4O2/c1-3-9(2,15)5-11-8(14)6-4-7(10)13-12-6/h4,15H,3,5H2,1-2H3,(H,11,14)(H3,10,12,13)
InChIKeyJAZPEROHTVWHOT-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.12
Rot. Bonds4

About 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide

3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide (PubChem CID 65103461) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide
PubChem CID65103461
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H16N4O2/c1-3-9(2,15)5-11-8(14)6-4-7(10)13-12-6/h4,15H,3,5H2,1-2H3,(H,11,14)(H3,10,12,13)
InChIKeyJAZPEROHTVWHOT-UHFFFAOYSA-N
XLogP-0.12
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 66169145
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
CID 114163943
3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 64524226
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211630
N-(2-hydroxy-2-methylbutyl)-2H-triazole-4-carboxamide
CID 79038825
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide (CID 65103461) is 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide is CCC(C)(O)CNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JAZPEROHTVWHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-9(2,15)5-11-8(14)6-4-7(10)13-12-6/h4,15H,3,5H2,1-2H3,(H,11,14)(H3,10,12,13).
What are the key properties of 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 65103461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).