3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide

C8H14N4O3 — CID 66169145

IUPAC3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H14N4O3/c1-8(15,4-13)3-10-7(14)5-2-6(9)12-11-5/h2,13,15H,3-4H2,1H3,(H,10,14)(H3,9,11,12)
InChIKeyHLPVCHCHMZGYSF-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.53
Rot. Bonds4

About 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide

3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 66169145) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID66169145
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H14N4O3/c1-8(15,4-13)3-10-7(14)5-2-6(9)12-11-5/h2,13,15H,3-4H2,1H3,(H,10,14)(H3,9,11,12)
InChIKeyHLPVCHCHMZGYSF-UHFFFAOYSA-N
XLogP-1.53
TPSA124.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 65103461
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
CID 114163943
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66170407
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 66171291
methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211630
3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 64524226
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 66169769

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide (CID 66169145) is 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide is CC(O)(CO)CNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HLPVCHCHMZGYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-8(15,4-13)3-10-7(14)5-2-6(9)12-11-5/h2,13,15H,3-4H2,1H3,(H,10,14)(H3,9,11,12).
What are the key properties of 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 214.22 g/mol, XLogP of -1.53, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 66169145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).