[1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone

C15H18F2N4O2 — CID 126814610

IUPAC[1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
SMILESCn1cccc1C1COCCN1C(=O)c1ccn(CC(F)F)n1
InChIInChI=1S/C15H18F2N4O2/c1-19-5-2-3-12(19)13-10-23-8-7-21(13)15(22)11-4-6-20(18-11)9-14(16)17/h2-6,13-14H,7-10H2,1H3
InChIKeySRTYOBQUJVTFSA-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.70
Rot. Bonds4

About [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone

[1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone (PubChem CID 126814610) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
PubChem CID126814610
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name[1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
SMILESCn1cccc1C1COCCN1C(=O)c1ccn(CC(F)F)n1
InChIInChI=1S/C15H18F2N4O2/c1-19-5-2-3-12(19)13-10-23-8-7-21(13)15(22)11-4-6-20(18-11)9-14(16)17/h2-6,13-14H,7-10H2,1H3
InChIKeySRTYOBQUJVTFSA-UHFFFAOYSA-N
XLogP1.70
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone (CID 126814610) is [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone is Cn1cccc1C1COCCN1C(=O)c1ccn(CC(F)F)n1.
What is the InChIKey of [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The InChIKey is SRTYOBQUJVTFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-19-5-2-3-12(19)13-10-23-8-7-21(13)15(22)11-4-6-20(18-11)9-14(16)17/h2-6,13-14H,7-10H2,1H3.
What are the key properties of [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
[1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone has a molecular weight of 324.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 126814610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).