5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid

C8H13N3O3 — CID 69159232

IUPAC5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid
SMILESCC(O)CNc1c(C(=O)O)cnn1C
InChIInChI=1S/C8H13N3O3/c1-5(12)3-9-7-6(8(13)14)4-10-11(7)2/h4-5,9,12H,3H2,1-2H3,(H,13,14)
InChIKeyMOPIOMVLVLQCCH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.09
Rot. Bonds4

About 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid

5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid (PubChem CID 69159232) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid
PubChem CID69159232
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid
SMILESCC(O)CNc1c(C(=O)O)cnn1C
InChIInChI=1S/C8H13N3O3/c1-5(12)3-9-7-6(8(13)14)4-10-11(7)2/h4-5,9,12H,3H2,1-2H3,(H,13,14)
InChIKeyMOPIOMVLVLQCCH-UHFFFAOYSA-N
XLogP-0.09
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
CID 142758448
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631627
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-methylpyrazole-4-carboxylic acid
CID 110482803
5-(3-chloropropanoylamino)-1-methylpyrazole-4-carboxylic acid
CID 110480863
5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805357
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-[2-(4-carboxy-3,3-dimethylbutanoyl)hydrazinyl]-1-methylpyrazole-4-carboxylic acid
CID 2809473
5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630970

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid (CID 69159232) is 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid is CC(O)CNc1c(C(=O)O)cnn1C.
What is the InChIKey of 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is MOPIOMVLVLQCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(12)3-9-7-6(8(13)14)4-10-11(7)2/h4-5,9,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid?
5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 69159232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).