(3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine

C16H16F3N5O — CID 162544054

IUPAC(3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine
SMILESFC[C@H]1COCCN1c1cc(-n2c(C(F)F)nc3ccccc32)[nH]n1
InChIInChI=1S/C16H16F3N5O/c17-8-10-9-25-6-5-23(10)13-7-14(22-21-13)24-12-4-2-1-3-11(12)20-16(24)15(18)19/h1-4,7,10,15H,5-6,8-9H2,(H,21,22)/t10-/m0/s1
InChIKeyPAINYFUOWDNWRR-JTQLQIEISA-N
MW351.33 g/mol
LogP2.86
Rot. Bonds4

About (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine

(3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine (PubChem CID 162544054) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine.

Molecular Properties

Compound Name(3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine
PubChem CID162544054
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Name(3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine
SMILESFC[C@H]1COCCN1c1cc(-n2c(C(F)F)nc3ccccc32)[nH]n1
InChIInChI=1S/C16H16F3N5O/c17-8-10-9-25-6-5-23(10)13-7-14(22-21-13)24-12-4-2-1-3-11(12)20-16(24)15(18)19/h1-4,7,10,15H,5-6,8-9H2,(H,21,22)/t10-/m0/s1
InChIKeyPAINYFUOWDNWRR-JTQLQIEISA-N
XLogP2.86
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine?
The IUPAC name of (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine (CID 162544054) is (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine.
What is the SMILES notation for (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine?
The canonical SMILES for (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine is FC[C@H]1COCCN1c1cc(-n2c(C(F)F)nc3ccccc32)[nH]n1.
What is the InChIKey of (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine?
The InChIKey is PAINYFUOWDNWRR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F3N5O/c17-8-10-9-25-6-5-23(10)13-7-14(22-21-13)24-12-4-2-1-3-11(12)20-16(24)15(18)19/h1-4,7,10,15H,5-6,8-9H2,(H,21,22)/t10-/m0/s1.
What are the key properties of (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine?
(3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine has a molecular weight of 351.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-pyrazol-3-yl]-3-(fluoromethyl)morpholine is sourced from PubChem (CID 162544054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).