1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid

C16H15N5O2 — CID 56767729

IUPAC1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESCCCc1cc(-n2ccc(C(=O)O)n2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H15N5O2/c1-2-4-12-9-14(21-8-6-13(20-21)16(22)23)19-15(18-12)11-5-3-7-17-10-11/h3,5-10H,2,4H2,1H3,(H,22,23)
InChIKeyBKOISLMRJZBLOJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.38
Rot. Bonds5

About 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid

1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid (PubChem CID 56767729) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
PubChem CID56767729
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESCCCc1cc(-n2ccc(C(=O)O)n2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H15N5O2/c1-2-4-12-9-14(21-8-6-13(20-21)16(22)23)19-15(18-12)11-5-3-7-17-10-11/h3,5-10H,2,4H2,1H3,(H,22,23)
InChIKeyBKOISLMRJZBLOJ-UHFFFAOYSA-N
XLogP2.38
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid (CID 56767729) is 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid is CCCc1cc(-n2ccc(C(=O)O)n2)nc(-c2cccnc2)n1.
What is the InChIKey of 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is BKOISLMRJZBLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-4-12-9-14(21-8-6-13(20-21)16(22)23)19-15(18-12)11-5-3-7-17-10-11/h3,5-10H,2,4H2,1H3,(H,22,23).
What are the key properties of 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 56767729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).