N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C15H21F4N3O2 — CID 91763336

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C15H21F4N3O2/c1-22(13(23)8-24-9-15(18,19)14(16)17)7-12-10-5-3-2-4-6-11(10)20-21-12/h14H,2-9H2,1H3,(H,20,21)
InChIKeyDWWUABIZWDWHTK-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.55
Rot. Bonds7

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91763336) has the molecular formula C15H21F4N3O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91763336
Molecular FormulaC15H21F4N3O2
Molecular Weight351.34 g/mol
Exact Mass351.16
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C15H21F4N3O2/c1-22(13(23)8-24-9-15(18,19)14(16)17)7-12-10-5-3-2-4-6-11(10)20-21-12/h14H,2-9H2,1H3,(H,20,21)
InChIKeyDWWUABIZWDWHTK-UHFFFAOYSA-N
XLogP2.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-1-[7-[2-[5-(2-methoxyacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl]propan-1-one
CID 166650162
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 86286068
N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)acetamide
CID 91789242
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
CID 154888138
2-methoxy-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone
CID 118489281
2-methoxy-1-(3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepin-5-yl)ethanone
CID 118491653
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CID 28239099
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-2-morpholinecarboxamide
CID 56899409
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-methoxyethanamine
CID 62544137
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1-(methoxyacetyl)-N-methyl-4-piperidinecarboxamide
CID 72907470
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CID 90652113
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CID 91834758

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91763336) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)COCC(F)(F)C(F)F.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is DWWUABIZWDWHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N3O2/c1-22(13(23)8-24-9-15(18,19)14(16)17)7-12-10-5-3-2-4-6-11(10)20-21-12/h14H,2-9H2,1H3,(H,20,21).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 351.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91763336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).