2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid

C10H11N5O2 — CID 107553542

IUPAC2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCn2cccn2)n1
InChIInChI=1S/C10H11N5O2/c16-9(17)8-2-4-11-10(14-8)12-5-7-15-6-1-3-13-15/h1-4,6H,5,7H2,(H,16,17)(H,11,12,14)
InChIKeyCJZCJGIJAOKDNJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.48
Rot. Bonds5

About 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid

2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid (PubChem CID 107553542) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid
PubChem CID107553542
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCn2cccn2)n1
InChIInChI=1S/C10H11N5O2/c16-9(17)8-2-4-11-10(14-8)12-5-7-15-6-1-3-13-15/h1-4,6H,5,7H2,(H,16,17)(H,11,12,14)
InChIKeyCJZCJGIJAOKDNJ-UHFFFAOYSA-N
XLogP0.48
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 115978219
6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
CID 54951300
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
2-ethoxy-5-[2-(2-pyrazol-1-ylethylamino)pyrimidin-4-yl]benzoic acid
CID 70719533
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286
2-(2-ethylsulfinylethylamino)pyrimidine-4-carboxylic acid
CID 107554425
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
(2Z)-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)-2-[2-(2-pyrazol-1-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 69311429
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carboxylic acid
CID 106342754

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid (CID 107553542) is 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(NCCn2cccn2)n1.
What is the InChIKey of 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid?
The InChIKey is CJZCJGIJAOKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-9(17)8-2-4-11-10(14-8)12-5-7-15-6-1-3-13-15/h1-4,6H,5,7H2,(H,16,17)(H,11,12,14).
What are the key properties of 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid?
2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).