2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane

C14H21F2N3O — CID 168994259

IUPAC2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane
SMILESCOCCn1cc(C2CC3(CCN2)CC(F)(F)C3)cn1
InChIInChI=1S/C14H21F2N3O/c1-20-5-4-19-8-11(7-18-19)12-6-13(2-3-17-12)9-14(15,16)10-13/h7-8,12,17H,2-6,9-10H2,1H3
InChIKeyYKOBXPDMRMEZCR-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.37
Rot. Bonds4

About 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane

2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane (PubChem CID 168994259) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane
PubChem CID168994259
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane
SMILESCOCCn1cc(C2CC3(CCN2)CC(F)(F)C3)cn1
InChIInChI=1S/C14H21F2N3O/c1-20-5-4-19-8-11(7-18-19)12-6-13(2-3-17-12)9-14(15,16)10-13/h7-8,12,17H,2-6,9-10H2,1H3
InChIKeyYKOBXPDMRMEZCR-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029773
1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029875
1-(4,4-difluorocyclohexyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029974
1,1,1-Trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 122154384
4-[3,3-Difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 18187752
2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol
CID 135237402
(2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine
CID 145069957
6-[1-(Difluoromethyl)pyrazol-4-yl]-2,2-difluoro-7-azaspiro[3.5]nonane
CID 168994227
2,2-Difluoro-6-(1-methylpyrazol-4-yl)-7-azaspiro[3.5]nonane
CID 168994255
Ethyl 2-[4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyrazol-1-yl]acetate
CID 168994303
2-[4-(2,2-Difluoro-7-azaspiro[3.5]nonan-6-yl)pyrazol-1-yl]acetic acid
CID 169749878
ethyl 2-[4-[(6R)-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]pyrazol-1-yl]acetate
CID 175928386

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane (CID 168994259) is 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane is COCCn1cc(C2CC3(CCN2)CC(F)(F)C3)cn1.
What is the InChIKey of 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane?
The InChIKey is YKOBXPDMRMEZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-20-5-4-19-8-11(7-18-19)12-6-13(2-3-17-12)9-14(15,16)10-13/h7-8,12,17H,2-6,9-10H2,1H3.
What are the key properties of 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane?
2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane has a molecular weight of 285.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 168994259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).