(2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide

C15H16F2N4O2 — CID 99773804

IUPAC(2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H16F2N4O2/c16-12-2-1-10(7-13(12)17)14-9-21(5-6-23-14)15(22)18-8-11-3-4-19-20-11/h1-4,7,14H,5-6,8-9H2,(H,18,22)(H,19,20)/t14-/m1/s1
InChIKeyFXUVFWBPMMNSCQ-CQSZACIVSA-N
MW322.32 g/mol
LogP1.97
Rot. Bonds3

About (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide

(2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide (PubChem CID 99773804) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
PubChem CID99773804
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name(2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H16F2N4O2/c16-12-2-1-10(7-13(12)17)14-9-21(5-6-23-14)15(22)18-8-11-3-4-19-20-11/h1-4,7,14H,5-6,8-9H2,(H,18,22)(H,19,20)/t14-/m1/s1
InChIKeyFXUVFWBPMMNSCQ-CQSZACIVSA-N
XLogP1.97
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide (CID 99773804) is (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide is O=C(NCc1ccn[nH]1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The InChIKey is FXUVFWBPMMNSCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c16-12-2-1-10(7-13(12)17)14-9-21(5-6-23-14)15(22)18-8-11-3-4-19-20-11/h1-4,7,14H,5-6,8-9H2,(H,18,22)(H,19,20)/t14-/m1/s1.
What are the key properties of (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
(2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 99773804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).