(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

C17H19F2N3O2 — CID 97332849

IUPAC(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cccc(F)c1F
InChIInChI=1S/C17H19F2N3O2/c1-10-15(11(2)21(3)20-10)14-9-24-8-7-22(14)17(23)12-5-4-6-13(18)16(12)19/h4-6,14H,7-9H2,1-3H3/t14-/m1/s1
InChIKeyHBDXSWOIMGNPNS-CQSZACIVSA-N
MW335.35 g/mol
LogP2.53
Rot. Bonds2

About (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 97332849) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID97332849
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cccc(F)c1F
InChIInChI=1S/C17H19F2N3O2/c1-10-15(11(2)21(3)20-10)14-9-24-8-7-22(14)17(23)12-5-4-6-13(18)16(12)19/h4-6,14H,7-9H2,1-3H3/t14-/m1/s1
InChIKeyHBDXSWOIMGNPNS-CQSZACIVSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (CID 97332849) is (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is HBDXSWOIMGNPNS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10-15(11(2)21(3)20-10)14-9-24-8-7-22(14)17(23)12-5-4-6-13(18)16(12)19/h4-6,14H,7-9H2,1-3H3/t14-/m1/s1.
What are the key properties of (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 335.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97332849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).