4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide

C9H16N4O2 — CID 65103807

IUPAC4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(C)(C)O)c1N
InChIInChI=1S/C9H16N4O2/c1-5-6(10)7(13-12-5)8(14)11-4-9(2,3)15/h15H,4,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyPZFPBFRTXASKOF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.20
Rot. Bonds3

About 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 65103807) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID65103807
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(C)(C)O)c1N
InChIInChI=1S/C9H16N4O2/c1-5-6(10)7(13-12-5)8(14)11-4-9(2,3)15/h15H,4,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyPZFPBFRTXASKOF-UHFFFAOYSA-N
XLogP-0.20
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 65103807) is 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC(C)(C)O)c1N.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PZFPBFRTXASKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5-6(10)7(13-12-5)8(14)11-4-9(2,3)15/h15H,4,10H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65103807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).