3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide

C8H14N4O2 — CID 106840125

IUPAC3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCCCO)[nH]n1
InChIInChI=1S/C8H14N4O2/c9-7-5-6(11-12-7)8(14)10-3-1-2-4-13/h5,13H,1-4H2,(H,10,14)(H3,9,11,12)
InChIKeyGAAHURXWEMZALU-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.51
Rot. Bonds5

About 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide

3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide (PubChem CID 106840125) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
PubChem CID106840125
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCCCO)[nH]n1
InChIInChI=1S/C8H14N4O2/c9-7-5-6(11-12-7)8(14)10-3-1-2-4-13/h5,13H,1-4H2,(H,10,14)(H3,9,11,12)
InChIKeyGAAHURXWEMZALU-UHFFFAOYSA-N
XLogP-0.51
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 64524298
N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136554520
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114464789
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523251
3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 66169145
3-amino-N-(2-phenylsulfanylethyl)-1H-pyrazole-5-carboxamide
CID 64525684
3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
CID 163353826

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide (CID 106840125) is 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCCCCO)[nH]n1.
What is the InChIKey of 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GAAHURXWEMZALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-7-5-6(11-12-7)8(14)10-3-1-2-4-13/h5,13H,1-4H2,(H,10,14)(H3,9,11,12).
What are the key properties of 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 106840125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).