1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine

C20H20F2N4O — CID 2985658

IUPAC1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N4O/c21-15-6-7-18(16(22)12-15)26-20(23)19(14-4-2-1-3-5-14)17(24-26)13-25-8-10-27-11-9-25/h1-7,12H,8-11,13,23H2
InChIKeyFCQWIJWLWVPBTJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.23
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine

1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (PubChem CID 2985658) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
PubChem CID2985658
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N4O/c21-15-6-7-18(16(22)12-15)26-20(23)19(14-4-2-1-3-5-14)17(24-26)13-25-8-10-27-11-9-25/h1-7,12H,8-11,13,23H2
InChIKeyFCQWIJWLWVPBTJ-UHFFFAOYSA-N
XLogP3.23
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (CID 2985658) is 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The InChIKey is FCQWIJWLWVPBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-15-6-7-18(16(22)12-15)26-20(23)19(14-4-2-1-3-5-14)17(24-26)13-25-8-10-27-11-9-25/h1-7,12H,8-11,13,23H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine has a molecular weight of 370.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 2985658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).