N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide

C17H17F4N3O — CID 19286658

IUPACN-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)C1CCCCC1
InChIInChI=1S/C17H17F4N3O/c18-12-8-13(19)16(21)11(15(12)20)9-24-7-6-14(23-24)22-17(25)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,22,23,25)
InChIKeySDJCGOIUBFHDEN-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.01
Rot. Bonds4

About N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide

N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 19286658) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
PubChem CID19286658
Molecular FormulaC17H17F4N3O
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC NameN-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)C1CCCCC1
InChIInChI=1S/C17H17F4N3O/c18-12-8-13(19)16(21)11(15(12)20)9-24-7-6-14(23-24)22-17(25)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,22,23,25)
InChIKeySDJCGOIUBFHDEN-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286071
4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286680
3,5-dinitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286430
1-(oxolan-2-ylmethyl)-3-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395323
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286615
2,4-dichloro-5-piperidin-1-ylsulfonyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286580
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19286518
2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19286595
1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286548
3-nitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286417
N-[1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 68643541

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide (CID 19286658) is N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide is O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)C1CCCCC1.
What is the InChIKey of N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is SDJCGOIUBFHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O/c18-12-8-13(19)16(21)11(15(12)20)9-24-7-6-14(23-24)22-17(25)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,22,23,25).
What are the key properties of N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 355.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 19286658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).