1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid

C15H16FN3O3 — CID 82187883

IUPAC1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cc2)c1CN1CCOCC1
InChIInChI=1S/C15H16FN3O3/c16-11-1-3-12(4-2-11)19-14(13(9-17-19)15(20)21)10-18-5-7-22-8-6-18/h1-4,9H,5-8,10H2,(H,20,21)
InChIKeyKWTFQESWOJRCGP-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.54
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid

1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid (PubChem CID 82187883) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid
PubChem CID82187883
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cc2)c1CN1CCOCC1
InChIInChI=1S/C15H16FN3O3/c16-11-1-3-12(4-2-11)19-14(13(9-17-19)15(20)21)10-18-5-7-22-8-6-18/h1-4,9H,5-8,10H2,(H,20,21)
InChIKeyKWTFQESWOJRCGP-UHFFFAOYSA-N
XLogP1.54
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid
CID 82187880
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 18728366
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126776183
1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid
CID 66766817
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(3-morpholin-4-ylpropyl)phenyl]methanone chloride
CID 56946918
1-(4-fluorophenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361611
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815923
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
4-[[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542330
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid (CID 82187883) is 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(F)cc2)c1CN1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid?
The InChIKey is KWTFQESWOJRCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-11-1-3-12(4-2-11)19-14(13(9-17-19)15(20)21)10-18-5-7-22-8-6-18/h1-4,9H,5-8,10H2,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid?
1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82187883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).