(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone

C12H15F2N3O2 — CID 90649833

IUPAC(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCOC(C2CC2)C1
InChIInChI=1S/C12H15F2N3O2/c13-12(14)17-4-3-9(15-17)11(18)16-5-6-19-10(7-16)8-1-2-8/h3-4,8,10,12H,1-2,5-7H2
InChIKeyZFSFSCZVRMEYMY-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.53
Rot. Bonds3

About (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone

(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone (PubChem CID 90649833) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
PubChem CID90649833
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCOC(C2CC2)C1
InChIInChI=1S/C12H15F2N3O2/c13-12(14)17-4-3-9(15-17)11(18)16-5-6-19-10(7-16)8-1-2-8/h3-4,8,10,12H,1-2,5-7H2
InChIKeyZFSFSCZVRMEYMY-UHFFFAOYSA-N
XLogP1.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone
CID 78086744
[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70713232
[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 46969146
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 51590865
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97204545
(4-cyclohexyl-1,4-diazepan-1-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 118769096
[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844761
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylpyrazol-3-yl)methanone
CID 124813293
ethyl 4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 4866590
(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 154799180
[1-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 133128219
[1-(difluoromethyl)pyrazol-3-yl]-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72861159

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone (CID 90649833) is (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone is O=C(c1ccn(C(F)F)n1)N1CCOC(C2CC2)C1.
What is the InChIKey of (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is ZFSFSCZVRMEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c13-12(14)17-4-3-9(15-17)11(18)16-5-6-19-10(7-16)8-1-2-8/h3-4,8,10,12H,1-2,5-7H2.
What are the key properties of (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone?
(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 271.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 90649833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).