3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid

C18H15F2N3O2 — CID 11992789

IUPAC3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(N(Cc2cccc(F)c2)Cc2cccc(F)c2)n[nH]1
InChIInChI=1S/C18H15F2N3O2/c19-14-5-1-3-12(7-14)10-23(11-13-4-2-6-15(20)8-13)17-9-16(18(24)25)21-22-17/h1-9H,10-11H2,(H,21,22)(H,24,25)
InChIKeyRSYKDSYEZBWUIA-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.59
Rot. Bonds6

About 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid

3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 11992789) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID11992789
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(N(Cc2cccc(F)c2)Cc2cccc(F)c2)n[nH]1
InChIInChI=1S/C18H15F2N3O2/c19-14-5-1-3-12(7-14)10-23(11-13-4-2-6-15(20)8-13)17-9-16(18(24)25)21-22-17/h1-9H,10-11H2,(H,21,22)(H,24,25)
InChIKeyRSYKDSYEZBWUIA-UHFFFAOYSA-N
XLogP3.59
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid (CID 11992789) is 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(N(Cc2cccc(F)c2)Cc2cccc(F)c2)n[nH]1.
What is the InChIKey of 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is RSYKDSYEZBWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-14-5-1-3-12(7-14)10-23(11-13-4-2-6-15(20)8-13)17-9-16(18(24)25)21-22-17/h1-9H,10-11H2,(H,21,22)(H,24,25).
What are the key properties of 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 343.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 11992789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).