1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid

C16H15N5O2 — CID 143457959

IUPAC1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid
SMILESCN(C)c1ccc(-c2ccnc(-n3cc(C(=O)O)cn3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-20(2)13-5-3-11(4-6-13)14-7-8-17-16(19-14)21-10-12(9-18-21)15(22)23/h3-10H,1-2H3,(H,22,23)
InChIKeyGKAHKCUZEBWGEO-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid

1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 143457959) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid
PubChem CID143457959
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid
SMILESCN(C)c1ccc(-c2ccnc(-n3cc(C(=O)O)cn3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-20(2)13-5-3-11(4-6-13)14-7-8-17-16(19-14)21-10-12(9-18-21)15(22)23/h3-10H,1-2H3,(H,22,23)
InChIKeyGKAHKCUZEBWGEO-UHFFFAOYSA-N
XLogP2.09
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid (CID 143457959) is 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid is CN(C)c1ccc(-c2ccnc(-n3cc(C(=O)O)cn3)n2)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is GKAHKCUZEBWGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-20(2)13-5-3-11(4-6-13)14-7-8-17-16(19-14)21-10-12(9-18-21)15(22)23/h3-10H,1-2H3,(H,22,23).
What are the key properties of 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid?
1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 143457959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).