5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid

C23H19FN4O2 — CID 126754210

IUPAC5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
SMILESCc1ccnn1-c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1F
InChIInChI=1S/C23H19FN4O2/c1-14-10-11-25-27(14)20-7-3-6-18(21(20)24)16-4-2-5-17(12-16)28-22(15-8-9-15)19(13-26-28)23(29)30/h2-7,10-13,15H,8-9H2,1H3,(H,29,30)
InChIKeyGYNSWFCPZGJBIP-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.75
Rot. Bonds5

About 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid

5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid (PubChem CID 126754210) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
PubChem CID126754210
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
SMILESCc1ccnn1-c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1F
InChIInChI=1S/C23H19FN4O2/c1-14-10-11-25-27(14)20-7-3-6-18(21(20)24)16-4-2-5-17(12-16)28-22(15-8-9-15)19(13-26-28)23(29)30/h2-7,10-13,15H,8-9H2,1H3,(H,29,30)
InChIKeyGYNSWFCPZGJBIP-UHFFFAOYSA-N
XLogP4.75
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid (CID 126754210) is 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid is Cc1ccnn1-c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1F.
What is the InChIKey of 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid?
The InChIKey is GYNSWFCPZGJBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-14-10-11-25-27(14)20-7-3-6-18(21(20)24)16-4-2-5-17(12-16)28-22(15-8-9-15)19(13-26-28)23(29)30/h2-7,10-13,15H,8-9H2,1H3,(H,29,30).
What are the key properties of 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid?
5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid has a molecular weight of 402.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 126754210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).