1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid

C18H14N6O2 — CID 166099346

IUPAC1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccnc(-c3n[nH]c4ccc(C5CC5)cc34)n2)c1
InChIInChI=1S/C18H14N6O2/c25-18(26)12-8-20-24(9-12)15-5-6-19-17(21-15)16-13-7-11(10-1-2-10)3-4-14(13)22-23-16/h3-10H,1-2H2,(H,22,23)(H,25,26)
InChIKeySVJVSTGJJJNDMA-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.78
Rot. Bonds4

About 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid

1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 166099346) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID166099346
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccnc(-c3n[nH]c4ccc(C5CC5)cc34)n2)c1
InChIInChI=1S/C18H14N6O2/c25-18(26)12-8-20-24(9-12)15-5-6-19-17(21-15)16-13-7-11(10-1-2-10)3-4-14(13)22-23-16/h3-10H,1-2H2,(H,22,23)(H,25,26)
InChIKeySVJVSTGJJJNDMA-UHFFFAOYSA-N
XLogP2.78
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid (CID 166099346) is 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccnc(-c3n[nH]c4ccc(C5CC5)cc34)n2)c1.
What is the InChIKey of 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is SVJVSTGJJJNDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-18(26)12-8-20-24(9-12)15-5-6-19-17(21-15)16-13-7-11(10-1-2-10)3-4-14(13)22-23-16/h3-10H,1-2H2,(H,22,23)(H,25,26).
What are the key properties of 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid?
1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 346.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 166099346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).