4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide

C8H14N4O2 — CID 65355215

IUPAC4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCC(CO)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C8H14N4O2/c1-5(4-13)10-8(14)7-6(9)3-12(2)11-7/h3,5,13H,4,9H2,1-2H3,(H,10,14)
InChIKeyGLRKLDBWRUMGJP-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.89
Rot. Bonds3

About 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide

4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 65355215) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID65355215
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCC(CO)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C8H14N4O2/c1-5(4-13)10-8(14)7-6(9)3-12(2)11-7/h3,5,13H,4,9H2,1-2H3,(H,10,14)
InChIKeyGLRKLDBWRUMGJP-UHFFFAOYSA-N
XLogP-0.89
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide (CID 65355215) is 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide is CC(CO)NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is GLRKLDBWRUMGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(4-13)10-8(14)7-6(9)3-12(2)11-7/h3,5,13H,4,9H2,1-2H3,(H,10,14).
What are the key properties of 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).