2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid

C11H10F3N5O2 — CID 115288469

IUPAC2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
SMILESCn1cc(C(Nc2nccc(C(F)(F)F)n2)C(=O)O)cn1
InChIInChI=1S/C11H10F3N5O2/c1-19-5-6(4-16-19)8(9(20)21)18-10-15-3-2-7(17-10)11(12,13)14/h2-5,8H,1H3,(H,20,21)(H,15,17,18)
InChIKeyNVICHTMGPWWVAN-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.47
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid

2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid (PubChem CID 115288469) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
PubChem CID115288469
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
SMILESCn1cc(C(Nc2nccc(C(F)(F)F)n2)C(=O)O)cn1
InChIInChI=1S/C11H10F3N5O2/c1-19-5-6(4-16-19)8(9(20)21)18-10-15-3-2-7(17-10)11(12,13)14/h2-5,8H,1H3,(H,20,21)(H,15,17,18)
InChIKeyNVICHTMGPWWVAN-UHFFFAOYSA-N
XLogP1.47
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Pyrimidin-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
CID 130298536
2-Pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 134397380
2-[3,5-Dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-yl]acetic acid
CID 64585482
4-(4-methyl-1H-pyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 70732256
2-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid
CID 84805934
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806134
2-Amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806528
2-[(5-Fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104605998
2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 108150921
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 108150922
2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121719409
2-Methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanoic acid
CID 132369834

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid (CID 115288469) is 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid is Cn1cc(C(Nc2nccc(C(F)(F)F)n2)C(=O)O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The InChIKey is NVICHTMGPWWVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-19-5-6(4-16-19)8(9(20)21)18-10-15-3-2-7(17-10)11(12,13)14/h2-5,8H,1H3,(H,20,21)(H,15,17,18).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid has a molecular weight of 301.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 115288469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).