[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

C21H21FN4O2 — CID 18728366

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(CN3CCOCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-17-4-6-18(7-5-17)26-21(23)19(13-24-26)20(27)16-3-1-2-15(12-16)14-25-8-10-28-11-9-25/h1-7,12-13H,8-11,14,23H2
InChIKeyYVJPKJOZXNRGGD-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.66
Rot. Bonds5

About [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 18728366) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID18728366
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(CN3CCOCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-17-4-6-18(7-5-17)26-21(23)19(13-24-26)20(27)16-3-1-2-15(12-16)14-25-8-10-28-11-9-25/h1-7,12-13H,8-11,14,23H2
InChIKeyYVJPKJOZXNRGGD-UHFFFAOYSA-N
XLogP2.66
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-aminophenyl)methanone
CID 22262810
3-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenyl]propane-1-sulfinate
CID 174376858
(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724703
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 82187883
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone
CID 11624640
2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724674
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]methanone
CID 5327067
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,4-dioxaspiro[4.5]decan-8-yloxy)phenyl]methanone
CID 69164321
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
CID 73012259
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (CID 18728366) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is Nc1c(C(=O)c2cccc(CN3CCOCC3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is YVJPKJOZXNRGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-4-6-18(7-5-17)26-21(23)19(13-24-26)20(27)16-3-1-2-15(12-16)14-25-8-10-28-11-9-25/h1-7,12-13H,8-11,14,23H2.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 380.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 18728366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).