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

C20H21FN4O — CID 2336530

IUPAC1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(CN2CCOCC2)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
InChIKeyIVRHULVLPPPNOV-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.09
Rot. Bonds4

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

1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (PubChem CID 2336530) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
PubChem CID2336530
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(CN2CCOCC2)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
InChIKeyIVRHULVLPPPNOV-UHFFFAOYSA-N
XLogP3.09
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
1-(3-chloro-4-methylphenyl)-3-(4-morpholinylmethyl)-4-phenyl-1H-pyrazol-5-amine
CID 2434131
1-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 155516229
5-(Morpholin-4-ylmethyl)-2-(3-nitrophenyl)-4-phenylpyrazol-3-amine
CID 2391336
2,7-dimethyl-1-(morpholin-4-yl)-3,5-diphenyl-2,5-dihydro-1H-1l5-pyrazolo[4,3-c][1,5,2]diazaphosphinin-1-one
CID 2323948
US10323022, Example 583
CID 71015431
US10323022, Example 534
CID 71015552
US10323022, Example 167
CID 71015832
US10323022, Example 580
CID 71041013
US10323022, Example 92
CID 71041075
US10323022, Example 129
CID 71041078
US10323022, Example 126
CID 71041080

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (CID 2336530) is 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The InChIKey is IVRHULVLPPPNOV-UHFFFAOYSA-N. 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.
What are the key properties of 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine has a molecular weight of 352.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 2336530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).