1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine

C20H22FN4O+ — CID 2336529

IUPAC1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(C[NH+]2CCOCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c21-16-6-8-17(9-7-16)25-20(22)19(15-4-2-1-3-5-15)18(23-25)14-24-10-12-26-13-11-24/h1-9H,10-14,22H2/p+1
InChIKeyIVRHULVLPPPNOV-UHFFFAOYSA-O
MW353.42 g/mol
LogP1.68
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine

1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine (PubChem CID 2336529) has the molecular formula C20H22FN4O+ and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine
PubChem CID2336529
Molecular FormulaC20H22FN4O+
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC Name1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(C[NH+]2CCOCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c21-16-6-8-17(9-7-16)25-20(22)19(15-4-2-1-3-5-15)18(23-25)14-24-10-12-26-13-11-24/h1-9H,10-14,22H2/p+1
InChIKeyIVRHULVLPPPNOV-UHFFFAOYSA-O
XLogP1.68
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine (CID 2336529) is 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine is Nc1c(-c2ccccc2)c(C[NH+]2CCOCC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine?
The InChIKey is IVRHULVLPPPNOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21FN4O/c21-16-6-8-17(9-7-16)25-20(22)19(15-4-2-1-3-5-15)18(23-25)14-24-10-12-26-13-11-24/h1-9H,10-14,22H2/p+1.
What are the key properties of 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine?
1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine has a molecular weight of 353.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 2336529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).