[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

C14H15F3N4O2 — CID 97132778

IUPAC[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCn1cccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1
InChIInChI=1S/C14H15F3N4O2/c1-20-4-2-3-11(20)9-7-10(19-18-9)13(22)21-5-6-23-12(8-21)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyMJUDNOFTQIZLCE-LBPRGKRZSA-N
MW328.29 g/mol
LogP1.82
Rot. Bonds2

About [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 97132778) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID97132778
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCn1cccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1
InChIInChI=1S/C14H15F3N4O2/c1-20-4-2-3-11(20)9-7-10(19-18-9)13(22)21-5-6-23-12(8-21)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyMJUDNOFTQIZLCE-LBPRGKRZSA-N
XLogP1.82
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 97132778) is [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is Cn1cccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1.
What is the InChIKey of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is MJUDNOFTQIZLCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-20-4-2-3-11(20)9-7-10(19-18-9)13(22)21-5-6-23-12(8-21)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 328.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 97132778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).